SCHEMBL22985482

SCHEMBL22985482

N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)ccc2-c2ccc(C#N)cc2C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.32
ELANE P08246 3/20 0.32
KIF11 P52732 2/20 0.32
CYP2C9 P11712 1/20 0.31
SCN9A Q15858 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PDPK1 O15530 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL20848951 0.99 AR (0.32) ARELANEKIF11CYP2C9SCN9A
SCHEMBL22985479 0.95 KIF11 (0.34) ARELANEKIF11CYP2C9SCN9A
SCHEMBL20848908 0.95 KIF11 (0.36) ARELANEKIF11PDPK1
SCHEMBL20848492 0.94 ALOX5AP (0.33) ARKIF11SCN9AALOX5APFEN1
SCHEMBL22985138 0.94 AR (0.34) ARKIF11CYP2C9SCN9AALOX5AP
SCHEMBL20849190 0.94 KIF11 (0.33) ARKIF11SCN9APDPK1
SCHEMBL20848966 0.94 KIF11 (0.33) ARELANEKIF11SCN9A
SCHEMBL20848810 0.94 KIF11 (0.33) ARELANEKIF11SCN9A
SCHEMBL20849075 0.94 KIF11 (0.33) ARELANEKIF11SCN9A
SCHEMBL20849074 0.94 KIF11 (0.33) ARELANEKIF11SCN9A

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 AR 3541/4885ELANE 3847/4885KIF11 525/4885

“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.