SCHEMBL168099

SCHEMBL168099

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 11/20 0.44
EPHX2 P34913 2/20 0.43
PPARA Q07869 1/20 0.43
IGF1R P08069 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 2/20 0.41
P2RY14 Q15391 1/20 0.41
BCR P11274 1/20 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
SCHEMBL165118 0.93 NAMPT (0.44) P2RY1
SCHEMBL165165 0.89 TRPV1 (0.46) P2RY1TRPV1RAB9AABL1
SCHEMBL168978 0.89 ROCK2 (0.47) P2RY1NPC1RAB9A
SCHEMBL165831 0.88 NAMPT (0.40) P2RY1TRPV1NPC1RAB9A
SCHEMBL167346 0.88 BUB1 (0.43) P2RY1NPC1RAB9A
SCHEMBL166414 0.88 ROCK2 (0.42) P2RY1NPC1RAB9A
SCHEMBL168670 0.87 MAPT (0.40) TRPV1
SCHEMBL168209 0.86 KDR (0.37) NPC1RAB9A
SCHEMBL165124 0.86 RAB9A (0.43) P2RY1RAB9AP2RY14
SCHEMBL168025 0.86 NPC1 (0.43) P2RY1IGF1RTRPV1NPC1RAB9A

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 P2RY1 3772/4885EPHX2 2814/4885PPARA 3135/4885

“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.