SCHEMBL22985339

SCHEMBL22985339

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(C#N)ccc2-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
AR P10275 8/20 0.34
TRPV4 Q9HBA0 1/20 0.34
NSD2 O96028 1/20 0.33
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
PDK2 Q15119 2/20 0.32
XDH P47989 2/20 0.31
SLC22A12 Q96S37 2/20 0.31
RORC P51449 1/20 0.31
PGR P06401 1/20 0.30
CYP11B2 P19099 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
SCHEMBL22985019 0.96 KIF11 (0.36) KIF11ARTRPV4NSD2RXRA
SCHEMBL22985007 0.96 KIF11 (0.36) KIF11ARTRPV4NSD2RXRA
SCHEMBL22985258 0.95 AR (0.36) KIF11ARTRPV4NSD2PDK2
SCHEMBL20848753 0.94 KIF11 (0.36) KIF11ARNSD2RXRARXRG
SCHEMBL22985686 0.93 KIF11 (0.45) KIF11ARTRPV4NSD2PDK2
SCHEMBL22985257 0.92 PDK2 (0.40) KIF11ARTRPV4PDK2RORC
SCHEMBL22985314 0.92 KIF11 (0.39) KIF11ARTRPV4NSD2XDH
SCHEMBL22985691 0.91 KIF11 (0.36) KIF11ARTRPV4NSD2RXRA
SCHEMBL22985022 0.91 KIF11 (0.38) KIF11ARTRPV4NSD2RXRA
SCHEMBL22985400 0.91 AR (0.34) KIF11ARTRPV4PDK2XDH

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.