SCHEMBL13098413

SCHEMBL13098413

Oc1ccncc1-c1cnccc1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 7/20 0.50
KDM4E B2RXH2 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CDC25B P30305 1/20 0.39
IDO1 P14902 1/20 0.37
DAO P14920 2/20 0.36
KDM5A P29375 1/20 0.36
ERN1 O75460 1/20 0.36
QDPR P09417 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL29775933 0.81 CYP2A6 (0.58) RPS6KA3KDM4EERN1ALDH1A1CYP1A2
SCHEMBL23775013 0.81 CYP2A6 (0.58) RPS6KA3KDM4EERN1ALDH1A1CYP1A2
SCHEMBL2283975 0.79
SCHEMBL7086650 0.78 EP300 (0.44) RPS6KA3KDM4EMAPKAPK2EP300KAT2B
Bromide SCHEMBL20854689 0.77
SCHEMBL22236422 0.77 RPS6KA3 (0.50) RPS6KA3KDM4EMAPKAPK2EP300KAT2B
SCHEMBL11886365 0.76 CYP2A6 (0.48) KDM4EMAOAMAOBALDH1A1CYP1A2
SCHEMBL31627406 0.75 CSNK1A1 (0.42) RPS6KA3KDM4EIDO1ALDH1A1CYP1A2
SCHEMBL11886375 0.73 RPS6KA3 (0.35) RPS6KA3KDM4EMAPKAPK2EP300KAT2B
SCHEMBL26104342 0.73 CYP17A1 (0.48) MAOAMAOBIDO1CYP1A2CYP3A4

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-20100270537-A1 OPTOELECTRONIC DEVICES AND ORGANIC COMPOUNDS USED THEREIN GENERAL ELECTRIC COMPANY (US) 2010-10-28 US disclosed
US-20100270537-A1 OPTOELECTRONIC DEVICES AND ORGANIC COMPOUNDS USED THEREIN GENERAL ELECTRIC COMPANY (US) 2010-10-28 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-20100270537-A1 OPTOELECTRONIC DEVICES AND ORGANIC COMPOUNDS USED THEREIN AOC3, C3AR1, AOC2 RPS6KA3 1040/4885KDM4E 4692/4885MAPKAPK2 2746/4885

“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.