SCHEMBL22985609

SCHEMBL22985609

N#Cc1ccc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
AR P10275 8/20 0.37
TRPV4 Q9HBA0 1/20 0.37
XDH P47989 2/20 0.36
SLC22A12 Q96S37 2/20 0.36
NSD2 O96028 1/20 0.35
PGR P06401 1/20 0.33
CYP11B2 P19099 1/20 0.33
CASP3 P42574 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
KDM1A O60341 1/20 0.32
RORC P51449 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
SCHEMBL22985593 0.95 KIF11 (0.37) KIF11ARTRPV4XDHSLC22A12
SCHEMBL22985370 0.95 KIF11 (0.37) KIF11ARTRPV4XDHSLC22A12
SCHEMBL22985608 0.94 AR (0.39) KIF11ARTRPV4XDHSLC22A12
SCHEMBL22985015 0.94 KIF11 (0.45) KIF11ARTRPV4XDHSLC22A12
SCHEMBL20848838 0.93 KIF11 (0.40) KIF11ARXDHSLC22A12NSD2
SCHEMBL22985422 0.93 KIF11 (0.40) KIF11ARTRPV4NSD2
SCHEMBL22985682 0.92 AR (0.37) KIF11ARTRPV4XDHSLC22A12
SCHEMBL22985022 0.92 KIF11 (0.38) KIF11ARTRPV4XDHSLC22A12
SCHEMBL22985017 0.92 AR (0.39) KIF11ARTRPV4NSD2PGR
SCHEMBL22985495 0.91 KIF11 (0.39) KIF11ARTRPV4XDHSLC22A12

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 3541/4885TRPV4 145/4885

“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.