SCHEMBL166850

SCHEMBL166850

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
PTGER3 P43115 2/20 0.41
AURKB Q96GD4 4/20 0.41
AURKA O14965 3/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDK8 P49336 2/20 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
SCHEMBL167346 0.92 BUB1 (0.43) KMT2ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL168670 0.91 MAPT (0.40) KMT2ASMN1; SMN2POLBTRPV1MEN1
SCHEMBL167218 0.89 TRPV1 (0.42) TRPV1MAPTPTGER3AURKBAURKA
SCHEMBL166695 0.89 MEN1 (0.46) KMT2ARAB9ANPC1POLBTRPV1
SCHEMBL169174 0.89 KDR (0.43) KMT2ARAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL167806 0.89 TRPV1 (0.48) KMT2ATRPV1MEN1PTGER3AURKB
SCHEMBL164013 0.88 RAB9A (0.40) KMT2ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL164668 0.87 ALDH1A1 (0.44) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL169268 0.87 PTGER3 (0.48) KMT2ARAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL165118 0.87 NAMPT (0.44) CDK8BRAFNAMPTP2RY1KDR

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 KMT2A 834/4885RAB9A 2322/4885NPC1 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.