SCHEMBL22985097

SCHEMBL22985097

N#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc2-c2ccc(C(F)(F)F)cc2C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
AR P10275 4/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
SCN9A Q15858 2/20 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
SCHEMBL22985468 0.98 KIF11 (0.33) KIF11ARALOX5APFEN1PPARG
SCHEMBL22985618 0.98 KIF11 (0.33) KIF11ARALOX5APFEN1PPARG
SCHEMBL22985613 0.95 ALOX5AP (0.34) KIF11ALOX5APFEN1SCN9A
SCHEMBL22985084 0.94 PPARG (0.34) KIF11ARPPARGPPARASCN9A
SCHEMBL22985211 0.94 ALOX5AP (0.36) KIF11ALOX5APFEN1
SCHEMBL22985168 0.94 KIF11 (0.36) KIF11ARALOX5APFEN1
SCHEMBL22985067 0.94 KIF11 (0.33) KIF11ARPPARGPPARASCN9A
SCHEMBL22985619 0.93 ALOX5AP (0.34) KIF11ALOX5APFEN1SCN9A
SCHEMBL22985063 0.93 KIF11 (0.33) KIF11ARALOX5APFEN1PPARG
SCHEMBL22985696 0.93 PPARG (0.33) KIF11ARPPARGPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 KIF11 525/4885AR 3541/4885ALOX5AP 2567/4885

“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.