SCHEMBL668277

SCHEMBL668277

O=C(O)N[C@H](CO)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.60
EPHX2 P34913 2/20 0.55
ROCK2 O75116 4/20 0.54
ROCK1 Q13464 4/20 0.54
MAPK13 O15264 1/20 0.54
RPS6KA5 O75582 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
PRKCG P05129 1/20 0.54
CDK1 P06493 1/20 0.54
PRKACA P17612 1/20 0.54
RPS6KB1 P23443 1/20 0.54
CDK2 P24941 1/20 0.54
MAPK1 P28482 1/20 0.54
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
IRAK1 P51617 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL117597 1.00 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL3311541 1.00 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL6939333 0.88 RIPK1 (0.54) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL4332848 0.88 RIPK1 (0.60) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL28136628 0.87 RIPK1 (0.52) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL4337456 0.86 RIPK1 (0.58) RIPK1EPHX2ROCK2ROCK1MAPK13
SCHEMBL21523031 0.84 GPR88 (0.58) RIPK1GPR88METAP2METAP1
SCHEMBL21331612 0.84 GPR88 (0.58) RIPK1GPR88METAP2METAP1
SCHEMBL21331611 0.84 GPR88 (0.58) RIPK1GPR88METAP2METAP1
SCHEMBL21331610 0.84 GPR88 (0.58) RIPK1GPR88METAP2METAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006055837-A2 PROCESS FOR PREPARING OXAZOLIDINE DERIVATIVES DR. REDDY'S LABORATORIES LTD. (IN) 2006-05-26 WO claimed
EP-4295845-A2 SOLID FORMS OF THE TARTRATE SALT OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL, PROCESS FOR THEIR PREPARATION AND METHODS OF THEIR USE IN TREATING CANCERS F. Hoffmann-La Roche AG (CH) 2023-12-27 EP disclosed
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use GENENTECH, INC. (US) 2023-10-10 US disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
EP-3810283-B1 SOLID FORMS OF THE TARTRATE SALT OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL, PROCESS FOR THEIR PREPARATION AND METHODS OF THEIR USE IN TREATING CANCERS HOFFMANN LA ROCHE (CH) 2023-06-14 EP disclosed
US-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences, S.R.L. (IT) 2021-09-30 US disclosed
WO-2021094210-A1 SUBSTITUTED PYRAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
EP-3810283-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE F. Hoffmann-La Roche AG (CH) 2021-04-28 EP disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
US-10954234-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3- fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use GENENTECH, INC. (US) 2021-03-23 US disclosed
EP-2396307-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2011-12-21 EP disclosed
CN-102120724-A 5-amino-4-hydroxy-7-benzyl-8-methylnonanamide derivative, preparation method thereof and application thereof in medicines JIANGSU HENGRUI MEDICINE CO 2011-07-13 CN disclosed
CN-102060732-A 5-amino-4-hydroxy-N-aryl azelamide derivatives as well as preparation methods and medical applications thereof JIANGSU HENGRUI MEDICINE CO 2011-05-18 CN disclosed
WO-2010093419-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2010-08-19 WO disclosed
US-20090124605-A1 Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-05-14 US disclosed
US-7482354-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-27 US disclosed
US-20070185143-A1 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-08-09 US disclosed
WO-2006055837-A2 PROCESS FOR PREPARING OXAZOLIDINE DERIVATIVES DR. REDDY'S LABORATORIES LTD. (IN) 2006-05-26 WO disclosed
US-5589476-A TREATMENT OF NAUSEA, VOMITING AND GASTROINTESTINAL DISORDERS SYNTHELABO (FR) 1996-12-31 US disclosed
EP-0646583-A1 Derivatives of Imidezol-4-yl piperidine, their preparation and use in therapy SYNTHELABO (FR) 1995-04-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 RIPK1 473/4885EPHX2 4090/4885ROCK2 745/4885
US-20090124605-A1 Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors MAP3K5, MAP3K9, MAP4K2 RIPK1 470/4885EPHX2 4111/4885ROCK2 745/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 RIPK1 72/4885EPHX2 4146/4885ROCK2 2659/4885
US-20070185143-A1 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP3K19 RIPK1 427/4885EPHX2 4231/4885ROCK2 723/4885
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use TP53, DPYD, FLI1 RIPK1 1386/4885EPHX2 3387/4885ROCK2 1606/4885
US-10954234-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3- fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use TP53, DPYD, FLI1 RIPK1 1386/4885EPHX2 3387/4885ROCK2 1606/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.