SCHEMBL167859

SCHEMBL167859

CCOc1cn(-c2ccc(F)c(OC)c2)nc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
NPC1 O15118 5/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
P2RX7 Q99572 4/20 0.38
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
MET P08581 1/20 0.38
SRC P12931 1/20 0.38
FER P16591 1/20 0.38
AXL P30530 1/20 0.38
CDK8 P49336 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
MAP2K5 Q13163 1/20 0.38

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
SCHEMBL176089 0.83 NPC1 (0.56) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL168305 0.79 RXRA (0.44) RXRAGRIN1GRIN2BALDH1A1P2RX7
SCHEMBL16242107 0.79 RXRA (0.44) RXRAGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL176199 0.76 KMT2A (0.50) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL168930 0.74 MAPT (0.60) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL166572 0.74 AURKA (0.51) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL168945 0.74 AURKA (0.42) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL30030621 0.74 AURKA (0.51) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL168219 0.73 KEAP1 (0.51) ALDH1A1AURKAKMT2AMEN1
SCHEMBL168289 0.73 DGAT1 (0.45) NPC1RAB9ALMNAALDH1A1CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
EP-2609091-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2014-11-26 EP disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 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 (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-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 RXRA 2266/4885GRIN1 1102/4885GRIN2B 1683/4885

“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.