SCHEMBL1330337

SCHEMBL1330337

COc1ccc(-c2cc(-n3nc(Nc4ccc(N5CCC(N6CCCC6)CC5)c(F)c4)nc3N)nc3c2N2CCC3CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 10/20 0.58
KDR P35968 3/20 0.49
INSR P06213 1/20 0.49
GALR1 P47211 3/20 0.48
EGFR P00533 2/20 0.40
AURKA O14965 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
KIT P10721 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
DDR1 Q08345 1/20 0.40
MERTK Q12866 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALK Q9UM73 1/20 0.40
KCNH2 Q12809 1/20 0.40
GALR2 O43603 4/20 0.39
CSF1R P07333 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
Trifluoroacetic Acid SCHEMBL1330025 0.94 AXL (0.54) AXLKDRINSRGALR1EGFR
SCHEMBL2056631 0.93 AXL (0.59) AXLKDRINSRGALR1EGFR
SCHEMBL2056590 0.92 AXL (0.61) AXLKDRINSRGALR1EGFR
SCHEMBL30090688 0.91 AXL (0.70) AXLKDRINSRGALR1EGFR
SCHEMBL1329581 0.91 AXL (0.70) AXLKDRINSRGALR1EGFR
SCHEMBL1331016 0.90 AXL (0.60) AXLKDRINSRGALR1EGFR
SCHEMBL30090699 0.90 AXL (0.60) AXLKDRINSRGALR1EGFR
SCHEMBL30090691 0.90 AXL (0.58) AXLKDRINSRGALR1EGFR
SCHEMBL1329742 0.90 AXL (0.58) AXLKDRINSRGALR1EGFR
SCHEMBL2056812 0.87 AXL (0.63) AXLKDRINSRGALR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353124-B2 Bridged bicyclic aryl and bridged bicyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US claimed
US-20140155386-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-06-05 US claimed
US-8609650-B2 Bridged bicyclic aryl and bridged bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-12-17 US claimed
EP-2114955-B1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2013-02-13 EP claimed
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-24 US claimed
US-9353124-B2 Bridged bicyclic aryl and bridged bicyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20140155386-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-06-05 US disclosed
US-8609650-B2 Bridged bicyclic aryl and bridged bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-12-17 US disclosed
EP-2114955-B1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2013-02-13 EP disclosed
US-20110281846-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-11-17 US disclosed
US-8012965-B2 e.g. 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N3-(5,7-ethano-5,7,8-trihydro-6-methyl-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine; angiogenesis inhibitor, antiproliferative agent RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-24 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-20110281846-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 AXL 1/4885KDR 79/4885INSR 251/4885
US-20140155386-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 AXL 1/4885KDR 79/4885INSR 251/4885
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 AXL 1/4885KDR 79/4885INSR 251/4885

“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.