SCHEMBL20848776

SCHEMBL20848776

N#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-n2c3ccccc3c3cc(C#N)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.35
AR P10275 4/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
PGR P06401 1/20 0.31
ELANE P08246 3/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CETP P11597 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
SCHEMBL20849522 0.98 KIF11 (0.35) KIF11ARALOX5APFEN1EDNRB
SCHEMBL20848466 0.98 KIF11 (0.35) KIF11ARALOX5APFEN1EDNRB
SCHEMBL22985329 0.97 KIF11 (0.34) KIF11ARALOX5APFEN1EDNRB
SCHEMBL20848765 0.96 KIF11 (0.35) KIF11ARALOX5APFEN1EDNRB
SCHEMBL21399774 0.96 KIF11 (0.35) KIF11ARALOX5APFEN1EDNRB
SCHEMBL22985369 0.96 KIF11 (0.35) KIF11ARALOX5APFEN1EDNRB
SCHEMBL20848816 0.96 KIF11 (0.36) KIF11ARALOX5APFEN1EDNRB
SCHEMBL20848837 0.96 KIF11 (0.36) KIF11ARALOX5APFEN1EDNRB
SCHEMBL20848870 0.95 AR (0.33) KIF11ARALOX5APFEN1EDNRB
SCHEMBL20848779 0.95 AR (0.33) KIF11ARALOX5APFEN1EDNRB

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 KIF11 419/4885AR 3706/4885ALOX5AP 3630/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885AR 3706/4885ALOX5AP 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.