SCHEMBL164013

SCHEMBL164013

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3ccccc3F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK8 P49336 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
PPIF P30405 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
ELOVL1 Q9BW60 1/20 0.37
NTRK1 P04629 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL165718 0.91 FGFR1 (0.40) MEN1KMT2ASMN1; SMN2CDK8PPIF
SCHEMBL166951 0.90 FGFR1 (0.36) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL168470 0.90 KDR (0.45) RAB9AMAPTNPC1SMN1; SMN2AURKA
SCHEMBL168670 0.90 MAPT (0.40) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL167346 0.89 BUB1 (0.43) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL167501 0.89 DDX3X (0.41) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL166419 0.89 NR1I2 (0.41) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL167600 0.89 EPHB4 (0.39) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL167970 0.89 RIPK1 (0.47) CA12CA1CA2CA9
SCHEMBL167322 0.88 KDM4E (0.44) KDM4EMEN1KMT2AAURKARPS6KB1

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 RAB9A 2322/4885KDM4E 900/4885MAPT 1276/4885

“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.