SCHEMBL22985105

SCHEMBL22985105

N#Cc1ccc(-c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c(-c3c(C#N)cccc3-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.38
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
PGR P06401 2/20 0.34
KIF11 P52732 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
CRHR1 P34998 2/20 0.32
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL22985103 0.96 AR (0.38) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL22984994 0.95 AR (0.36) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL22984993 0.95 KIF11 (0.37) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL20849164 0.94 AR (0.35) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL22985278 0.94 AR (0.35) ARPGRKIF11
SCHEMBL22985631 0.94 AR (0.35) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL22985124 0.94 AR (0.35) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL22985276 0.94 AR (0.40) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL22985626 0.93 AR (0.35) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL22985599 0.93 AR (0.37) ARPGRKIF11CRHR1

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 3541/4885GABRA1 4622/4885GABRG2 4564/4885

“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.