SCHEMBL22985368

SCHEMBL22985368

N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
STS P08842 1/20 0.34
KIF11 P52732 2/20 0.32
XDH P47989 1/20 0.30
AR P10275 1/20 0.30
PTGER4 P35408 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
SCHEMBL22985509 0.96 ALOX5AP (0.37) ALOX5APFEN1STSKIF11XDH
SCHEMBL22985115 0.96 ALOX5AP (0.38) ALOX5APFEN1STSKIF11XDH
SCHEMBL22985744 0.96 ALOX5AP (0.38) ALOX5APFEN1STSKIF11XDH
SCHEMBL22985362 0.96 ALOX5AP (0.39) ALOX5APFEN1STSKIF11XDH
SCHEMBL22985196 0.95 ALOX5AP (0.40) ALOX5APFEN1STSKIF11XDH
SCHEMBL21399721 0.94 KIF11 (0.34) ALOX5APFEN1KIF11ARPTGER4
SCHEMBL21399630 0.94 ALOX5AP (0.38) ALOX5APFEN1STSKIF11XDH
SCHEMBL22985363 0.94 ALOX5AP (0.40) ALOX5APFEN1STSKIF11XDH
SCHEMBL22985361 0.94 ALOX5AP (0.40) ALOX5APFEN1STSKIF11XDH
SCHEMBL20849553 0.93 AR (0.35) ALOX5APFEN1KIF11AR

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 ALOX5AP 2567/4885FEN1 2939/4885STS 2865/4885

“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.