SCHEMBL169174

SCHEMBL169174

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.43
FLT3 P36888 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PTGER3 P43115 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
EPHB4 P54760 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
CDK8 P49336 2/20 0.40
AURKA O14965 1/20 0.40
IKBKE Q14164 1/20 0.40
AURKB Q96GD4 1/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 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
SCHEMBL165124 0.92 RAB9A (0.43) KDRFLT3ALDH1A1PTGER3KMT2A
SCHEMBL168670 0.91 MAPT (0.40) KDRTRPV1SMN1; SMN2KMT2AMEN1
SCHEMBL166850 0.89 KMT2A (0.42) KDRFLT3TRPV1PTGER3SMN1; SMN2
SCHEMBL167218 0.89 TRPV1 (0.42) KDRFLT3TRPV1PTGER3EPHB4
SCHEMBL166695 0.89 MEN1 (0.46) KDRTRPV1ALDH1A1PTGER3KMT2A
SCHEMBL169268 0.89 PTGER3 (0.48) TRPV1ALDH1A1PTGER3SMN1; SMN2KMT2A
SCHEMBL167501 0.88 DDX3X (0.41) KDRALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL168470 0.88 KDR (0.45) KDRFLT3SMN1; SMN2PKMAURKA
SCHEMBL169318 0.87 PTGER3 (0.43) TRPV1ALDH1A1PTGER3SMN1; SMN2KMT2A
SCHEMBL164668 0.87 ALDH1A1 (0.44) KDRALDH1A1SMN1; SMN2KMT2AEPHB4

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 KDR 1965/4885FLT3 362/4885TRPV1 4297/4885

“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.