SCHEMBL165575

SCHEMBL165575

[2H]C([2H])(c1ccnc(N)c1)n1ccc2c(NC(=O)Nc3cc(Cl)ccc3OC)cccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 3/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 3/20 0.45
IGF1R P08069 3/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
POLB P06746 3/20 0.44
NTRK1 P04629 2/20 0.43
NTRK2 Q16620 2/20 0.43
TP53 P04637 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
Hydrochloric Acid SCHEMBL168314 0.99 EPHB4 (0.45) EPHB4MEN1KMT2AKDM4EIGF1R
SCHEMBL165500 0.95 EPHB4 (0.41) EPHB4MEN1KMT2AKDM4EIGF1R
SCHEMBL5592585 0.92 MEN1 (0.47) EPHB4MEN1KMT2AKDM4EIGF1R
SCHEMBL168756 0.91 PKM (0.45) EPHB4MEN1KMT2AKDM4EMAPT
SCHEMBL166765 0.91 ALDH1A1 (0.48) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL167481 0.91 MAPT (0.43) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL168089 0.90 MAPT (0.42) MEN1KMT2AKDM4EMAPTLMNA
Ji-101 SCHEMBL165822 0.90 EPHB4 (0.44) EPHB4MEN1KMT2AKDM4EMAPT
SCHEMBL15077847 0.89 TRPV1 (0.46) EPHB4MEN1KMT2AMAPTLMNA
SCHEMBL165718 0.88 FGFR1 (0.40) EPHB4MEN1KMT2ANTRK1TP53

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 6 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
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.