SCHEMBL15056367

SCHEMBL15056367

Oc1c(F)cc(F)c2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 13/20 0.44
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
ERN1 O75460 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
ACHE P22303 1/20 0.37
KDM5A P29375 2/20 0.36
CHUK O15111 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
SCHEMBL31551852 0.79 RPS6KA3 (0.42) RPS6KA3EP300KAT2BKAT8ERN1
SCHEMBL28892469 0.76 AXL (0.40) EP300KAT2BKAT8KDM4EACHE
SCHEMBL30829771 0.76 AXL (0.40) EP300KAT2BKAT8KDM4EACHE
SCHEMBL28892616 0.76 LOXL2 (0.35) RPS6KA3EP300KAT2BKAT8KDM4E
SCHEMBL9218722 0.75 EP300 (0.50) RPS6KA3EP300KAT2BKAT8ERN1
SCHEMBL9827318 0.75 EP300 (0.52) RPS6KA3EP300KAT2BKAT8ERN1
SCHEMBL28892536 0.72 LOXL2 (0.35) EP300KAT2BKAT8KDM4EACHE
SCHEMBL30001957 0.72 LOXL2 (0.35) EP300KAT2BKAT8KDM4EACHE
SCHEMBL9828244 0.71 EP300 (0.47) RPS6KA3EP300KAT2BKAT8ERN1
SCHEMBL2505316 0.71 KDM4E (0.41) RPS6KA3EP300KAT2BKAT8KDM4E

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-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
CN-104011021-B heterocyclic derivatives and their use as prostaglandin D2 receptor modulators 埃科特莱茵药品有限公司 2016-08-24 CN disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 RPS6KA3 606/4885EP300 1195/4885KAT2B 3554/4885

“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.