Sugi Predict

Sugi Predict / Compounds / SCHEMBL8513883

SCHEMBL8513883

SCHEMBL8513883

N[C@H](CO)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ AOC3 Q16853 1/20 0.42
▸ GBA1 P04062 2/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ ENPEP Q07075 1/20 0.40

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
SCHEMBL432890 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30800833 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30559591 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL1464027 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30818125 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
Hydrochloric Acid SCHEMBL10276702 0.98 IDO1 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
Hydrochloric Acid SCHEMBL1439297 0.98 IDO1 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL20445784 0.85 HDAC4 (0.42) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL20445783 0.85 HDAC4 (0.42) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL25196113 0.82 HDAC4 (0.40) HDAC4HDAC7HDAC5IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4516778-A1 COMPOUND SERVING AS DDR1 KINASE INHIBITOR, AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2025-03-05 — — EP disclosed
US-20240409535-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 GENENTECH, INC. (US) 2024-12-12 — — US disclosed
US-20240317738-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 GENENTECH, INC. (US) 2024-09-26 — — US disclosed
CN-118239948-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-06-25 — — CN disclosed
CN-117946107-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-04-30 — — CN disclosed
CN-113544131-B Pyrrolo-heterocyclic derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-03-15 — — CN disclosed
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
WO-2023210599-A1 COMPOUND SERVING AS DDR1 KINASE INHIBITOR, AND MEDICINE 日本新薬株式会社 2023-11-02 — — WO 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
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-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2017-11-02 — — US disclosed
EP-3214086-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND Ube Industries, Ltd. (JP) 2017-09-06 — — EP disclosed
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 — — EP disclosed
US-9388171-B2 Serine/threonine kinase inhibitors GENETECH, INC. (US) 2016-07-12 — — US disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 — — EP disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 — — US disclosed
US-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-03-06 — — US disclosed
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 — — EP disclosed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 — — US disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 — — WO 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-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND QDPR, CYP2D6, DCLK3 HDAC4 598/4885HDAC7 1515/4885HDAC5 1071/4885
US-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 HDAC4 2115/4885HDAC7 1585/4885HDAC5 1802/4885
US-20240409535-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 TP53, DPYD, FLI1 HDAC4 1859/4885HDAC7 3136/4885HDAC5 2684/4885
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 HDAC4 1859/4885HDAC7 3136/4885HDAC5 2684/4885
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES AZI2, NQO2, ABL1 HDAC4 618/4885HDAC7 706/4885HDAC5 127/4885
US-20240317738-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 TP53, DPYD, FLI1 HDAC4 1859/4885HDAC7 3136/4885HDAC5 2684/4885

“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.