SCHEMBL15079240

SCHEMBL15079240

CC(C)(C)c1ccnc2c1[nH]c(=O)n2C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
TNKS O95271 1/20 0.33
BRAF P15056 2/20 0.31
DAO P14920 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL27055137 0.83 CYP17A1 (0.37) RXFP1TNKSDAOLMNAMAPT
SCHEMBL10149394 0.79 DAO (0.39) RXFP1DAO
SCHEMBL1884167 0.71 DAO (0.58) TNKSDAO
SCHEMBL27054264 0.71 ADORA2A (0.43)
SCHEMBL15468282 0.71 KIF11 (0.44) DAOLMNAMAPT
SCHEMBL25823816 0.70 TLR7 (0.46) LMNA
SCHEMBL18670873 0.69 CYP3A4 (0.33) TNKSDAOLMNAMAPT
SCHEMBL15946957 0.67 BRD4 (0.44) BRAFDAO
SCHEMBL22210762 0.65 BRAF (0.40) BRAFMAPT
SCHEMBL25823819 0.64 KDM4E (0.42) RXFP1BRAFMAPT

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 2 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US 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 RXFP1 4443/4885TNKS 767/4885BRAF 90/4885

“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.