SCHEMBL167730

SCHEMBL167730

COc1ccc(Cl)cc1NC(=O)Nc1cccc2c1CCN2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
IGF1R P08069 5/20 0.56
POLB P06746 2/20 0.51
GRIK1 P39086 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL167491 0.93 KMT2A (0.50) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL15077842 0.93 IGF1R (0.48) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL174473 0.87 MEN1 (0.55) MEN1KMT2AKDM4EMAPTIGF1R
Trifluoroacetic Acid SCHEMBL165260 0.86 IGF1R (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL173758 0.86 SMN1; SMN2 (0.53) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL27807412 0.83 MAPT (0.51) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL175118 0.77 RAB9A (0.58) MEN1KMT2AMAPTLMNAGRIK1
SCHEMBL167492 0.77 SHMT2 (0.40) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL175262 0.77 SMN1; SMN2 (0.55) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL173753 0.75 IGF1R (0.64) MEN1KMT2AKDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
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
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
EP-2470533-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2012-07-04 EP disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO disclosed
WO-2011023081-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2011-03-03 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 (2 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 MEN1 1556/4885KMT2A 1244/4885KDM4E 1145/4885
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 MEN1 3044/4885KMT2A 834/4885KDM4E 900/4885

“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.