SCHEMBL167729

SCHEMBL167729

COc1cn(-c2ccc(F)cc2)nc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 1/20 0.51
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTSA P10619 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL176199 0.87 KMT2A (0.50) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL168201 0.87 KMT2A (0.50) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL20239610 0.86 KMT2A (0.70) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL169117 0.85 KMT2A (0.51) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL176297 0.85 NPC1 (0.57) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL167000 0.82 NPC1 (0.73) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL398111 0.80 KMT2A (0.59) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL23749349 0.80 AURKA (0.46) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL30366986 0.80 KMT2A (0.49) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL30030359 0.80 AURKA (0.46) KMT2AMEN1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103124729-B As the pharmaceutical active compounds of Axl inhibitor LEAD DISCOVERY CENTER GMBH (DE) 2016-01-20 CN disclosed
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 KMT2A 1175/4885MEN1 1117/4885NPC1 3417/4885

“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.