SCHEMBL165831

SCHEMBL165831

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3ccccc3OC(F)(F)F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
KDR P35968 3/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
HCK P08631 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK14 Q16539 1/20 0.37
ATR Q13535 1/20 0.36
IDH2 P48735 1/20 0.36
EGFR P00533 2/20 0.35
FGFR1 P11362 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
ROCK1 Q13464 1/20 0.35
DGAT1 O75907 1/20 0.34
NTRK1 P04629 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL165118 0.89 NAMPT (0.44) NAMPTKDRFLT3P2RY1
SCHEMBL167481 0.89 MAPT (0.43) KDRROCK1MAPTKDM4EAURKA
SCHEMBL168099 0.88 P2RY1 (0.44) TRPV1NPC1RAB9AP2RY1
SCHEMBL167748 0.87 ROCK1 (0.39) KDRHCKMAPK12MAPK14ROCK1
SCHEMBL167322 0.87 KDM4E (0.44) KDRFLT3FGFR1TRPV1ROCK1
SCHEMBL164013 0.86 RAB9A (0.40) ROCK1NTRK1MAPTKDM4ENPC1
SCHEMBL168670 0.85 MAPT (0.40) KDRTRPV1ROCK1MAPTKDM4E
SCHEMBL167346 0.84 BUB1 (0.43) KDRKITROCK1MAPTKDM4E
SCHEMBL166419 0.84 NR1I2 (0.41) TRPV1MAPTKDM4ENPC1RAB9A
SCHEMBL167501 0.84 DDX3X (0.41) KDRHCKMAPK12MAPK14ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 NAMPT 1534/4885KDR 1965/4885KIT 2668/4885

“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.