SCHEMBL20848700

SCHEMBL20848700

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.38
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
PGR P06401 2/20 0.34
KIF11 P52732 2/20 0.33
STS P08842 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
XDH P47989 1/20 0.31
RORC P51449 1/20 0.31
PTGER4 P35408 1/20 0.31
CYP2C9 P11712 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL22985292 0.98 ALOX5AP (0.38) ARALOX5APFEN1PGRKIF11
SCHEMBL20848443 0.96 AR (0.36) ARALOX5APFEN1PGRKIF11
SCHEMBL20848718 0.96 AR (0.36) ARALOX5APFEN1PGRKIF11
SCHEMBL20848734 0.95 AR (0.39) ARALOX5APFEN1PGRKIF11
SCHEMBL20848697 0.95 ALOX5AP (0.39) ARALOX5APFEN1PGRKIF11
SCHEMBL20849544 0.95 KIF11 (0.36) ARALOX5APFEN1PGRKIF11
SCHEMBL20848693 0.95 AR (0.36) ARALOX5APFEN1PGRKIF11
SCHEMBL22985345 0.95 ALOX5AP (0.37) ARALOX5APFEN1PGRKIF11
SCHEMBL22985685 0.94 AR (0.40) ARPGRKIF11STSRORC
SCHEMBL22985689 0.94 KIF11 (0.36) ARALOX5APFEN1PGRKIF11

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 AR 3706/4885ALOX5AP 3630/4885FEN1 3586/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 AR 3706/4885ALOX5AP 3630/4885FEN1 3586/4885

“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.