SCHEMBL22985307

SCHEMBL22985307

N#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.37
PDPK1 O15530 1/20 0.35
KIF11 P52732 1/20 0.33
PGR P06401 2/20 0.33
NR3C1 P04150 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL22985304 1.00 AR (0.37) ARPDPK1KIF11PGRNR3C1
SCHEMBL22985585 0.97 AR (0.35) ARPDPK1KIF11PGRNR3C1
SCHEMBL22985591 0.97 AR (0.35) ARPDPK1KIF11PGRNR3C1
SCHEMBL22985061 0.96 AR (0.36) ARPDPK1KIF11PGRNR3C1
SCHEMBL22985062 0.96 AR (0.36) ARPDPK1KIF11PGRNR3C1
SCHEMBL22985306 0.95 AR (0.39) ARPDPK1KIF11PGRTRPV4
SCHEMBL20848707 0.94 KIF11 (0.34) ARPDPK1KIF11PGRNR3C1
SCHEMBL20848706 0.94 KIF11 (0.34) ARPDPK1KIF11PGRNR3C1
SCHEMBL22985596 0.93 AR (0.36) ARPDPK1KIF11PGRNR3C1
SCHEMBL22985612 0.93 AR (0.36) ARPDPK1KIF11PGRNR3C1

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 3541/4885PDPK1 2545/4885KIF11 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.