SCHEMBL22985015

SCHEMBL22985015

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.45
PDK2 Q15119 1/20 0.36
NSD2 O96028 1/20 0.36
AR P10275 7/20 0.35
TRPV4 Q9HBA0 1/20 0.35
CYP11B2 P19099 1/20 0.33
PGR P06401 1/20 0.33
XDH P47989 2/20 0.32
SLC22A12 Q96S37 2/20 0.32
KDM1A O60341 1/20 0.32
MAP4K4 O95819 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
SCHEMBL22985267 0.95 KIF11 (0.43) KIF11PDK2NSD2ARTRPV4
SCHEMBL22985398 0.95 KIF11 (0.43) KIF11PDK2NSD2ARTRPV4
SCHEMBL22985410 0.95 KIF11 (0.41) KIF11PDK2NSD2ARTRPV4
SCHEMBL22984983 0.94 KIF11 (0.40) KIF11PDK2NSD2ARTRPV4
SCHEMBL22985609 0.94 KIF11 (0.39) KIF11NSD2ARTRPV4CYP11B2
SCHEMBL20849138 0.93 KIF11 (0.44) KIF11PDK2NSD2ARKDM1A
SCHEMBL22985003 0.93 AR (0.43) KIF11PDK2NSD2ARTRPV4
SCHEMBL22985022 0.93 KIF11 (0.38) KIF11PDK2NSD2ARTRPV4
SCHEMBL22985254 0.92 PDK2 (0.40) KIF11PDK2ARTRPV4PGR
SCHEMBL22984999 0.92 KIF11 (0.38) KIF11PDK2ARTRPV4PGR

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 525/4885PDK2 764/4885NSD2 756/4885

“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.