SCHEMBL22984993

SCHEMBL22984993

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-c2c(C#N)cccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
AR P10275 13/20 0.36
PDK2 Q15119 1/20 0.33
PGR P06401 4/20 0.32
KDM1A O60341 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
NSD2 O96028 1/20 0.31
CRHR1 P34998 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
SCHEMBL22985281 0.96 AR (0.36) KIF11ARPDK2PGRCRHR1
SCHEMBL22985599 0.96 AR (0.37) KIF11ARPDK2PGRCRHR1
SCHEMBL22985278 0.95 AR (0.35) KIF11ARPDK2PGR
SCHEMBL22985105 0.95 AR (0.38) KIF11ARPGRGABRA1GABRG2
SCHEMBL22985108 0.95 AR (0.41) KIF11ARPGR
SCHEMBL22985626 0.94 AR (0.35) KIF11ARPDK2PGRGABRA1
SCHEMBL22984994 0.94 AR (0.36) KIF11ARPGRGABRA1GABRG2
SCHEMBL22985595 0.94 AR (0.35) KIF11ARPDK2PGRCRHR1
SCHEMBL20849557 0.94 KIF11 (0.37) KIF11ARPDK2PGRKDM1A
SCHEMBL22985276 0.94 AR (0.40) ARPGRGABRA1GABRG2GABRB3

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 KIF11 525/4885AR 3541/4885PDK2 764/4885

“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.