SCHEMBL930435

SCHEMBL930435

CN1CCN(c2ccc(Nc3nc(N)n(-c4ncc5c(n4)CCCCCC5)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.58
AXL P30530 5/20 0.50
INSR P06213 2/20 0.50
KDR P35968 2/20 0.50
IGF1R P08069 1/20 0.46
PIM1 P11309 1/20 0.46
TTK P33981 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
KIT P10721 1/20 0.45
EGFR P00533 2/20 0.44
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
AURKA O14965 2/20 0.43
CDK4 P11802 2/20 0.43
CCND3 P30281 1/20 0.43
CDK6 Q00534 1/20 0.43
CDK1 P06493 1/20 0.43
PDGFRB P09619 1/20 0.43

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
SCHEMBL930358 0.91 FLT3 (0.48) FLT3AXLINSRKDRPIM1
SCHEMBL928674 0.88 FLT3 (0.45) FLT3AXLINSRKDRKIT
SCHEMBL930394 0.87 AXL (0.48) FLT3AXLINSRKITCCNA2
SCHEMBL929735 0.85 AXL (0.46) FLT3AXLKDRKITEGFR
SCHEMBL929402 0.84 FLT3 (0.63) FLT3AXLINSRKDRIGF1R
SCHEMBL929048 0.84 AXL (0.54) FLT3AXLINSRKDRKIT
SCHEMBL5048846 0.84 AXL (0.54) FLT3AXLINSRKDRKIT
SCHEMBL5047875 0.84 AXL (0.54) FLT3AXLINSRKDRKIT
SCHEMBL929238 0.83 AXL (0.45) FLT3AXLINSRKDRTTK
SCHEMBL12826400 0.83 AXL (0.45) FLT3AXLINSRKDRTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114954-B1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2013-02-13 EP claimed
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 claimed
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 claimed
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
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

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

For each of this compound's patents that has machine-readable text (3 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 FLT3 5/4885AXL 1/4885INSR 173/4885
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 FLT3 5/4885AXL 1/4885INSR 173/4885
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 FLT3 2/4885AXL 1/4885INSR 799/4885

“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.