SCHEMBL165165

SCHEMBL165165

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.46
MAPT P10636 2/20 0.44
RIPK1 Q13546 3/20 0.43
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
NAMPT P43490 1/20 0.41
P2RY1 P47900 4/20 0.40
KDR P35968 3/20 0.40
BRAF P15056 1/20 0.40
MAPK14 Q16539 1/20 0.40
TNNI3K Q59H18 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40
KIT P10721 1/20 0.40
SRC P12931 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL167806 0.92 TRPV1 (0.48) TRPV1RIPK1AURKAAURKBKDR
SCHEMBL167346 0.90 BUB1 (0.43) MAPTRIPK1AURKAP2RY1KDR
SCHEMBL167970 0.90 RIPK1 (0.47) RIPK1KDRBRAFABL1LCK
SCHEMBL168670 0.89 MAPT (0.40) TRPV1MAPTKDRMEN1HTT
SCHEMBL168099 0.89 P2RY1 (0.44) TRPV1P2RY1ABL1RAB9A
SCHEMBL168209 0.89 KDR (0.37) MAPTKDRBRAFKITFLT1
SCHEMBL165124 0.89 RAB9A (0.43) MAPTAURKAAURKBP2RY1KDR
SCHEMBL168025 0.89 NPC1 (0.43) TRPV1MAPTAURKANAMPTP2RY1
SCHEMBL167322 0.88 KDM4E (0.44) TRPV1RIPK1AURKAAURKBKDR
SCHEMBL167503 0.87 KDR (0.46) MAPTAURKAAURKBKDRBRAF

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 TRPV1 4297/4885MAPT 1276/4885RIPK1 438/4885

“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.