SCHEMBL168256

SCHEMBL168256

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cc(OC)ccc3F)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.44
FLT1 P17948 2/20 0.39
TEK Q02763 1/20 0.39
ROCK2 O75116 1/20 0.39
RAB9A P51151 3/20 0.39
PTGER3 P43115 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 3/20 0.37
MAP4K4 O95819 2/20 0.37
ROS1 P08922 2/20 0.37
CDK2 P24941 2/20 0.37
CLK2 P49760 2/20 0.37
CDK5 Q00535 2/20 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
SCHEMBL166661 0.95 ROCK1 (0.40) ROCK1FLT1TEKROCK2RAB9A
SCHEMBL166765 0.91 ALDH1A1 (0.48) ROCK1SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL168470 0.89 KDR (0.45) ROCK1FLT1ROCK2RAB9ASMN1; SMN2
SCHEMBL168978 0.89 ROCK2 (0.47) ROCK1ROCK2RAB9APTGER3SMN1; SMN2
SCHEMBL169268 0.88 PTGER3 (0.48) ROCK1ROCK2RAB9APTGER3SMN1; SMN2
SCHEMBL165718 0.88 FGFR1 (0.40) FLT1SMN1; SMN2GSK3AGSK3BMEN1
SCHEMBL164013 0.88 RAB9A (0.40) ROCK1RAB9APTGER3SMN1; SMN2ALDH1A1
SCHEMBL166951 0.87 FGFR1 (0.36) ROCK1FLT1TEKRAB9ASMN1; SMN2
SCHEMBL168263 0.86 MEN1 (0.41) ROCK1ROCK2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL167970 0.86 RIPK1 (0.47) FLT1TEKKDRRETFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO 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 ROCK1 547/4885FLT1 2481/4885TEK 3520/4885

“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.