SCHEMBL165124

SCHEMBL165124

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
HCK P08631 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDR P35968 4/20 0.39
FLT3 P36888 2/20 0.39
EPHB4 P54760 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
ROCK2 O75116 1/20 0.39
CDK8 P49336 1/20 0.38
PTGER3 P43115 2/20 0.38
P2RY1 P47900 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL169174 0.92 KDR (0.43) RAB9AKDRFLT3EPHB4CDK8
SCHEMBL168670 0.92 MAPT (0.40) KDRROCK2KDM4EMEN1MAPT
SCHEMBL168209 0.91 KDR (0.37) RAB9AKDRKITFLT1FLT4
SCHEMBL168025 0.91 NPC1 (0.43) RAB9AKDREPHB4ROCK2PTGER3
SCHEMBL167346 0.91 BUB1 (0.43) RAB9AKDREPHB4KITROCK2
SCHEMBL168978 0.90 ROCK2 (0.47) RAB9AROCK2CDK8PTGER3P2RY1
SCHEMBL167501 0.89 DDX3X (0.41) RAB9AHCKMAPK12MAPK14KDR
SCHEMBL166414 0.89 ROCK2 (0.42) RAB9AKDRROCK2PTGER3P2RY1
SCHEMBL165126 0.89 SMN1; SMN2 (0.42) KDREPHB4ROCK2P2RY1KDM4E
SCHEMBL168470 0.89 KDR (0.45) RAB9AKDRFLT3LCKCSF1R

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 RAB9A 2322/4885HCK 158/4885MAPK12 186/4885

“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.