SCHEMBL20848976

SCHEMBL20848976

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccc(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
KIF11 P52732 1/20 0.32
ELANE P08246 3/20 0.31
NSD2 O96028 1/20 0.31
CNR1 P21554 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MAT2A P31153 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
SCHEMBL20848711 0.96 CYP2C9 (0.33) CYP2C9SCN9AALOX5APFEN1DGAT1
SCHEMBL20848784 0.96 ALOX5AP (0.34) CYP2C9SCN9AALOX5APFEN1DGAT1
SCHEMBL20848708 0.96 ALOX5AP (0.34) CYP2C9SCN9AALOX5APFEN1DGAT1
SCHEMBL20848975 0.96 PTGER4 (0.36) CYP2C9SCN9AALOX5APFEN1KIF11
SCHEMBL22985356 0.95 NSD2 (0.33) KIF11NSD2CTSSCTSK
SCHEMBL21399456 0.93 KIF11 (0.35) DGAT1SOAT1KCNH2KIF11ELANE
SCHEMBL20848787 0.92 PTGER4 (0.37) CYP2C9SCN9AALOX5APFEN1DGAT1
SCHEMBL20848698 0.92 PTGER4 (0.37) CYP2C9SCN9AALOX5APFEN1DGAT1
SCHEMBL22985195 0.91 ALOX5AP (0.38) SCN9AALOX5APFEN1DGAT1SOAT1
SCHEMBL22985243 0.91 NSD2 (0.33) KIF11NSD2

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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 (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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 CYP2C9 725/4885SCN9A 1664/4885ALOX5AP 3630/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 CYP2C9 725/4885SCN9A 1664/4885ALOX5AP 3630/4885

“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.