SCHEMBL23100766

SCHEMBL23100766

CC(CNC(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
GPR84 Q9NQS5 3/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MGAM O43451 3/20 0.50
GAA P10253 3/20 0.50
SI P14410 3/20 0.50
MGAM2 Q2M2H8 3/20 0.50
FFAR1 O14842 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RECQL P46063 2/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL23100765 1.00 HTR2A (0.57) HTR2AHTR2CHTR2BGPR84MTNR1A
SCHEMBL30425130 0.89 MTNR1A (0.65) HTR2AHTR2CHTR2BGPR84MTNR1A
SCHEMBL14631586 0.83 MGAM (0.49) HTR2AHTR2CHTR2BGPR84MAPT
SCHEMBL29378369 0.82 MAPT (0.50) HTR2AHTR2CHTR2BGPR84MTNR1A
SCHEMBL23126845 0.82 MAPT (0.50) HTR2AHTR2CHTR2BGPR84MTNR1A
SCHEMBL28552129 0.82 MAPT (0.50) HTR2AHTR2CHTR2BGPR84MTNR1A
SCHEMBL14631231 0.82 MGAM (0.51) GPR84MAPTMEN1KMT2AMGAM
SCHEMBL7849758 0.81 MAPT (0.78) MTNR1AMAPTMEN1KMT2AGAA
SCHEMBL6982959 0.81 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84MAPT
SCHEMBL3656418 0.81 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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

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

For each of this compound's patents that has machine-readable text (2 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-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 HTR2A 347/4885HTR2C 122/4885HTR2B 686/4885
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 HTR2A 347/4885HTR2C 122/4885HTR2B 686/4885

“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.