SCHEMBL168035

SCHEMBL168035

CCOc1cn(-c2ccc(F)cc2CCN(C)C)nc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
MET P08581 1/20 0.41
SRC P12931 1/20 0.41
FER P16591 1/20 0.41
AXL P30530 1/20 0.41
CDK8 P49336 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
MAP2K5 Q13163 1/20 0.41
AURKB Q96GD4 1/20 0.41
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGER1 P34995 2/20 0.36
MPO P05164 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL168443 0.91 AURKA (0.41) AURKAABL1LCKMETSRC
SCHEMBL164265 0.90 NPC1 (0.45) AURKAABL1LCKMETSRC
SCHEMBL167624 0.82 AURKA (0.52) AURKAABL1LCKMETSRC
SCHEMBL167526 0.81 AURKA (0.42) AURKAABL1LCKMETSRC
Hydrochloric Acid SCHEMBL28408091 0.81 AURKA (0.51) AURKAABL1LCKMETSRC
SCHEMBL176297 0.76 NPC1 (0.57) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL167057 0.74 NPC1 (0.48) AURKAABL1LCKMETSRC
Hydrochloric Acid SCHEMBL695939 0.73 MET (0.80) AURKAABL1LCKMETSRC
SCHEMBL167525 0.73 AURKA (0.53) AURKAABL1LCKMETSRC
SCHEMBL164749 0.73 AURKA (0.51) AURKAABL1LCKMETSRC

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 6 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
EP-2423208-A1 Pharmaceutically active compounds as Axl inhibitors Lead Discovery Center GmbH (DE) 2012-02-29 EP 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 AURKA 203/4885ABL1 24/4885LCK 12/4885

“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.