SCHEMBL929048

SCHEMBL929048

CN(C)C1CCN(c2ccc(Nc3nc(N)n(-c4ncc5c(n4)CCCCCC5)n3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 6/20 0.54
INSR P06213 2/20 0.54
KDR P35968 2/20 0.54
FLT3 P36888 3/20 0.41
MCHR1 Q99705 2/20 0.41
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
FGFR4 P22455 1/20 0.39
JAK2 O60674 1/20 0.39
BRD4 O60885 1/20 0.39
KIT P10721 2/20 0.38
GRM5 P41594 1/20 0.37
CDK4 P11802 2/20 0.36
CDK6 Q00534 2/20 0.36
EGFR P00533 1/20 0.36
WEE1 P30291 2/20 0.36

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
SCHEMBL5047875 1.00 AXL (0.54) AXLINSRKDRFLT3MCHR1
SCHEMBL5048846 1.00 AXL (0.54) AXLINSRKDRFLT3MCHR1
SCHEMBL930435 0.84 FLT3 (0.58) AXLINSRKDRFLT3CCNA2
SCHEMBL928674 0.82 FLT3 (0.45) AXLINSRKDRFLT3CCNA2
SCHEMBL930358 0.82 FLT3 (0.48) AXLINSRKDRFLT3CCNA2
SCHEMBL930714 0.78 AXL (0.61) AXLKDRFLT3CDK4
SCHEMBL930394 0.76 AXL (0.48) AXLINSRFLT3CCNA2CDK2
SCHEMBL929735 0.76 AXL (0.46) AXLKDRFLT3CCNA2CDK2
SCHEMBL928424 0.75 AXL (0.59) AXLINSRKDRFLT3KIT
SCHEMBL4990571 0.73 AXL (0.68) AXLINSRKDRFLT3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (1 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 AXL 1/4885INSR 173/4885KDR 60/4885

“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.