SCHEMBL167806

SCHEMBL167806

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)c3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
GSK3B P49841 2/20 0.46
GSK3A P49840 1/20 0.46
ERN1 O75460 3/20 0.46
KDR P35968 5/20 0.45
BRAF P15056 1/20 0.45
MAPK14 Q16539 1/20 0.45
TNNI3K Q59H18 1/20 0.45
RIPK1 Q13546 1/20 0.45
ABL1 P00519 2/20 0.45
LCK P06239 2/20 0.45
FYN P06241 2/20 0.45
LYN P07948 2/20 0.45
SRC P12931 2/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
FLT3 P36888 2/20 0.45
BLK P51451 2/20 0.45
CSF1R P07333 1/20 0.45
KIT P10721 1/20 0.45

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
SCHEMBL165165 0.92 TRPV1 (0.46) TRPV1KDRBRAFMAPK14TNNI3K
SCHEMBL167970 0.89 RIPK1 (0.47) KDRBRAFRIPK1ABL1LCK
SCHEMBL166850 0.89 KMT2A (0.42) TRPV1GSK3BGSK3AKDRBRAF
SCHEMBL168670 0.89 MAPT (0.40) TRPV1KDRMEN1KMT2A
SCHEMBL165118 0.88 NAMPT (0.44) KDRBRAFFLT1FLT3CDK8
SCHEMBL169174 0.87 KDR (0.43) TRPV1KDRFLT3PTGER3EPHB4
SCHEMBL167218 0.87 TRPV1 (0.42) TRPV1KDRLCKLYNFLT1
SCHEMBL167322 0.87 KDM4E (0.44) TRPV1KDRRIPK1LCKFLT1
SCHEMBL166695 0.87 MEN1 (0.46) TRPV1KDRPTGER3EPHB4MEN1
SCHEMBL167503 0.86 KDR (0.46) GSK3BGSK3AKDRBRAFMAPK14

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 4297/4885GSK3B 203/4885GSK3A 228/4885

“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.