SCHEMBL166253

SCHEMBL166253

[2H]C([2H])([2H])Oc1ccc(Cl)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 3/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IGF1R P08069 3/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.39
NTRK1 P04629 2/20 0.39
NTRK2 Q16620 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTGER3 P43115 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL5592585 0.94 MEN1 (0.47) EPHB4MEN1KMT2AMAPTKDM4E
SCHEMBL165500 0.93 EPHB4 (0.41) EPHB4MEN1KMT2AMAPTKDM4E
SCHEMBL5612923 0.90 THRB (0.42) EPHB4MEN1KMT2AMAPTKDM4E
SCHEMBL165575 0.88 EPHB4 (0.46) EPHB4MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL168314 0.87 EPHB4 (0.45) EPHB4MEN1KMT2AMAPTKDM4E
SCHEMBL12029094 0.86 THRA (0.41) EPHB4TP53THRATHRBPTGER3
SCHEMBL5959796 0.85 MEN1 (0.50) EPHB4MEN1KMT2AMAPTKDM4E
SCHEMBL5592945 0.84 MAPT (0.50) EPHB4MEN1KMT2AMAPTKDM4E
Ji-101 SCHEMBL5585996 0.84 EPHB4 (0.46) EPHB4MEN1KMT2AMAPTKDM4E
Ji-101 SCHEMBL29375077 0.84 EPHB4 (0.46) EPHB4MEN1KMT2AMAPTKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO 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
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 EPHB4 3126/4885MEN1 3044/4885KMT2A 834/4885

“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.