SCHEMBL467492

SCHEMBL467492

Nc1ccc2c(c1)CCC(N1CCCC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.44
GRIN2B Q13224 5/20 0.43
HRH3 Q9Y5N1 5/20 0.43
BRD4 O60885 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 2/20 0.40
KDM2B Q8NHM5 1/20 0.40
AXL P30530 2/20 0.39
AURKA O14965 1/20 0.39
EGFR P00533 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39

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
SCHEMBL19633006 1.00 HTR1D (0.44) HTR1DGRIN2BHRH3BRD4ATAD2
SCHEMBL24740684 0.92 HTR1D (0.47) HTR1DGRIN2BBRD4ATAD2L3MBTL3
SCHEMBL30300596 0.92 HTR1D (0.47) HTR1DGRIN2BBRD4ATAD2L3MBTL3
SCHEMBL24740615 0.90 HTR1D (0.48) HTR1DGRIN2BBRD4ATAD2L3MBTL3
SCHEMBL30612416 0.88 GRIN2B (0.45) HTR1DGRIN2BBRD4ATAD2
SCHEMBL29113501 0.88 GRIN2B (0.45) HTR1DGRIN2BBRD4ATAD2
SCHEMBL2060586 0.87 GRIN2B (0.44) HTR1DGRIN2BHRH3BRD4ATAD2
SCHEMBL4768314 0.86 HRH3 (0.56) HRH3CYP2D6
SCHEMBL1953271 0.86 HRH3 (0.49) GRIN2BHRH3BRD4ATAD2CYP2D6
SCHEMBL520119 0.85 HRH3 (0.44) GRIN2BHRH3BRD4ATAD2L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4341262-A1 AXL INHIBITOR COMPOUNDS Arcus Biosciences, Inc. (US) 2024-03-27 EP disclosed
WO-2022246179-A1 AXL INHIBITOR COMPOUNDS ARCUS BIOSCIENCES, INC. (US) 2022-11-24 WO disclosed
US-20210379064-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER MIDCAP FINANCIAL TRUST 2021-12-09 US disclosed
US-20210379064-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER MIDCAP FINANCIAL TRUST 2021-12-09 US disclosed
WO-2021239133-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR 南京正大天晴制药有限公司 2021-12-02 WO disclosed
US-20190336500-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS, INC. 2019-11-07 US disclosed
US-20190336500-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS, INC. 2019-11-07 US disclosed
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
EP-2079736-B1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-05-18 US disclosed
US-7709482-B2 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709482-B2 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
WO-2010005876-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-01-14 WO disclosed
EP-2078010-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
WO-2008083356-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008083367-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 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-20190336500-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER AXL, FLT3, MET HTR1D 4592/4885GRIN2B 3624/4885HRH3 1905/4885
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS AXL, FLT3, MERTK HTR1D 3673/4885GRIN2B 1602/4885HRH3 3156/4885
US-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK HTR1D 2679/4885GRIN2B 2111/4885HRH3 871/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 HTR1D 3048/4885GRIN2B 2314/4885HRH3 1145/4885
US-20210379064-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER AXL, FLT3, MET HTR1D 4592/4885GRIN2B 3624/4885HRH3 1905/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 HTR1D 799/4885GRIN2B 1927/4885HRH3 1213/4885

“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.