SCHEMBL23100722

SCHEMBL23100722

O=C(O)NC(Cc1ccccc1)Cc1c[nH]c2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.49
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
CTSL P07711 1/20 0.46
BRS3 P32247 1/20 0.44
CYP3A4 P08684 2/20 0.44
GPR84 Q9NQS5 3/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL23100720 1.00 ECE1 (0.49) ECE1ITGB2ICAM1ITGALCTSL
SCHEMBL29199764 0.85 CYP3A4 (0.60) CTSLCYP3A4
SCHEMBL23127382 0.85 CYP3A4 (0.60) CTSLCYP3A4
SCHEMBL23100728 0.85 ECE1 (0.65) ECE1ITGB2ICAM1ITGALCTSL
SCHEMBL23100729 0.85 ECE1 (0.65) ECE1ITGB2ICAM1ITGALCTSL
SCHEMBL23100754 0.78 MAPT (0.52) ECE1CTSLKMT2ASMN1; SMN2
SCHEMBL23100753 0.78 MAPT (0.52) ECE1CTSLKMT2ASMN1; SMN2
SCHEMBL28548191 0.77 KDM4E (0.43) ECE1ITGB2ICAM1ITGALCTSL
SCHEMBL28548193 0.77 KDM4E (0.43) ECE1ITGB2ICAM1ITGALCTSL
SCHEMBL23100762 0.77 SCN9A (0.52) ECE1KMT2A

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 ECE1 4037/4885ITGB2 2417/4885ICAM1 4103/4885
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 ECE1 4037/4885ITGB2 2417/4885ICAM1 4103/4885

“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.