SCHEMBL168289

SCHEMBL168289

CCOc1cn(-c2cccnc2)nc1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 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 0.79 NPC1 (0.56) DGAT1NPC1RAB9AALDH1A1KMT2A
SCHEMBL24505868 0.77 NPC1 (0.54) NPC1RAB9AALDH1A1MAPK1KMT2A
SCHEMBL21799397 0.77 NPC1 (0.54) NPC1RAB9AALDH1A1MAPK1KMT2A
SCHEMBL168219 0.76 KEAP1 (0.51) ALDH1A1KMT2AMAPT
SCHEMBL21799389 0.76 NPC1 (0.48) DGAT1NPC1RAB9AALDH1A1MAPK1
SCHEMBL21799412 0.75 NPC1 (0.47) DGAT1NPC1RAB9AALDH1A1MAPK1
SCHEMBL21799396 0.75 SGMS2 (0.49) ALDH1A1KMT2ALMNACYP19A1CYP11B1
SCHEMBL168930 0.75 MAPT (0.60) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL21799368 0.74 NPC1 (0.39) DGAT1NPC1RAB9AALDH1A1MAPK1
SCHEMBL19019666 0.74 NPC1 (0.74) NPC1RAB9AALDH1A1MAPK1LMNA

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 DGAT1 4423/4885NPC1 3417/4885RAB9A 1235/4885

“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.