SCHEMBL929907

SCHEMBL929907

CN1CCN(c2ccc(NC(=NC#N)Oc3ccccc3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
MAPT P10636 6/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 2/20 0.48
ESR2 Q92731 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDR P35968 2/20 0.44
FLT1 P17948 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL929906 1.00 GAA (0.63) GAANPSR1NPC1RAB9AMAPT
SCHEMBL2088868 0.87 KMT2A (0.47) GAANPSR1NPC1RAB9AMAPT
SCHEMBL12781647 0.87 KMT2A (0.47) GAANPSR1NPC1RAB9AMAPT
SCHEMBL12782020 0.87 KMT2A (0.47) GAANPSR1NPC1RAB9AMAPT
SCHEMBL13006577 0.83 MAPT (0.50) GAANPSR1MAPTKMT2AUSP2
SCHEMBL931188 0.83 MAPT (0.44) GAANPSR1NPC1RAB9AMAPT
SCHEMBL931189 0.83 MAPT (0.44) GAANPSR1NPC1RAB9AMAPT
SCHEMBL929052 0.80 NPC1 (0.48) GAANPSR1NPC1RAB9AMAPT
SCHEMBL929051 0.80 NPC1 (0.48) GAANPSR1NPC1RAB9AMAPT
SCHEMBL11321364 0.80 KMT2A (0.44) GAANPSR1MAPTKMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
EP-2476679-B1 Substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC (US) 2015-10-14 EP disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-8809347-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2013-10-24 US disclosed
US-8492373-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-07-23 US disclosed
EP-2114954-B1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2013-02-13 EP disclosed
EP-2476679-A2 Substituted triazoles useful as AXL inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
US-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7872000-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) 2011-01-18 US disclosed
US-20080188454-A1 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) 2008-08-07 US 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

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-20110071133-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 GAA 1127/4885NPSR1 1097/4885NPC1 4201/4885
US-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK GAA 392/4885NPSR1 970/4885NPC1 4152/4885
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 GAA 1127/4885NPSR1 1097/4885NPC1 4201/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK GAA 392/4885NPSR1 970/4885NPC1 4152/4885
US-20080188454-A1 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 AXL, FLT3, FLT1 GAA 4329/4885NPSR1 965/4885NPC1 4872/4885
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 GAA 1863/4885NPSR1 922/4885NPC1 4871/4885

“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.