SCHEMBL166695

SCHEMBL166695

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
PPIA P62937 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
PTGER3 P43115 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
EPHB4 P54760 1/20 0.41
CDK8 P49336 2/20 0.40
KDR P35968 2/20 0.40
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL168025 0.92 NPC1 (0.43) MEN1KMT2ANPC1RAB9ATRPV1
SCHEMBL168670 0.91 MAPT (0.40) MEN1KMT2APOLBTRPV1MAPT
SCHEMBL169174 0.89 KDR (0.43) MEN1KMT2ANPC1RAB9ATRPV1
SCHEMBL166850 0.89 KMT2A (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL167218 0.89 TRPV1 (0.42) TRPV1PTGER3MAPTEPHB4CDK8
SCHEMBL165718 0.89 FGFR1 (0.40) MEN1KMT2ATRPV1EPHB4CDK8
SCHEMBL166419 0.88 NR1I2 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL15077847 0.88 TRPV1 (0.46) MEN1KMT2APOLBTRPV1MAPT
SCHEMBL164668 0.87 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9APPIA
SCHEMBL167806 0.87 TRPV1 (0.48) MEN1KMT2ATRPV1PTGER3EPHB4

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 MEN1 3044/4885KMT2A 834/4885NPC1 3123/4885

“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.