SCHEMBL22985490

SCHEMBL22985490

N#Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PDPK1 O15530 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
KIF11 P52732 1/20 0.30
ELANE P08246 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
SCHEMBL22985228 0.97 ALOX5AP (0.34) ALOX5APFEN1PDPK1PTGDR2KIF11
SCHEMBL22985520 0.97 ALOX5AP (0.35) ALOX5APFEN1PDPK1PTGDR2KIF11
SCHEMBL22985163 0.96 ALOX5AP (0.35) ALOX5APFEN1PDPK1PTGDR2KIF11
SCHEMBL20848715 0.92 CYP2C9 (0.31) PDPK1PTGDR2KIF11ELANE
SCHEMBL21399722 0.92 KIF11 (0.34) PTGDR2KIF11
SCHEMBL22985695 0.91 KIF11 (0.30) KIF11
SCHEMBL21399413 0.90 KIF11 (0.34) PTGDR2KIF11
SCHEMBL20849538 0.90 PGR (0.32) PDPK1
SCHEMBL22985727 0.89 ALOX5AP (0.34) ALOX5APFEN1KIF11
SCHEMBL20848805 0.89 EDNRB (0.32) PDPK1PTGDR2KIF11ELANE

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 2939/4885PDPK1 2545/4885

“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.