SCHEMBL166419

SCHEMBL166419

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3ccccc3Cl)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
SENP8 Q96LD8 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
EPHB4 P54760 1/20 0.39
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL168670 0.90 MAPT (0.40) KMT2AMEN1POLBSMN1; SMN2HTT
SCHEMBL168025 0.89 NPC1 (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL167501 0.89 DDX3X (0.41) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL164013 0.89 RAB9A (0.40) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL167600 0.89 EPHB4 (0.39) KMT2AMEN1CASP3SENP7NPC1
SCHEMBL166695 0.88 MEN1 (0.46) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL165718 0.87 FGFR1 (0.40) KMT2AMEN1SMN1; SMN2TRPV1EPHB4
SCHEMBL15077847 0.87 TRPV1 (0.46) KMT2AMEN1POLBHTTTRPV1
SCHEMBL167322 0.86 KDM4E (0.44) KMT2AMEN1TRPV1KDM4EAURKA
SCHEMBL167153 0.86 KDM4E (0.39) NPC1RAB9ASMN1; SMN2HTTKDM4E

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 NR1I2 1429/4885KMT2A 834/4885MEN1 3044/4885

“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.