SCHEMBL22985012

SCHEMBL22985012

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.36
KIF11 P52732 1/20 0.34
PDK2 Q15119 2/20 0.33
PTGER4 P35408 1/20 0.33
PGR P06401 2/20 0.32
TRPV4 Q9HBA0 1/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
RORC P51449 2/20 0.31
PTPN5 P54829 1/20 0.31
NSD2 O96028 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
SCHEMBL22985400 0.96 AR (0.34) ARKIF11PDK2PTGER4PGR
SCHEMBL22985005 0.96 AR (0.34) ARKIF11PDK2PTGER4PGR
SCHEMBL22985022 0.95 KIF11 (0.38) ARKIF11PDK2PGRTRPV4
SCHEMBL20848747 0.94 KIF11 (0.33) ARKIF11PDK2PTGER4PGR
SCHEMBL22985252 0.94 PDK2 (0.40) ARKIF11PDK2PTGER4PGR
SCHEMBL22985410 0.94 KIF11 (0.41) ARKIF11PDK2PTGER4PGR
SCHEMBL22984999 0.93 KIF11 (0.38) ARKIF11PDK2PTGER4PGR
SCHEMBL22985608 0.93 AR (0.39) ARKIF11PDK2PTGER4PGR
SCHEMBL22985247 0.92 AR (0.34) ARKIF11PDK2PTGER4PGR
SCHEMBL22985258 0.92 AR (0.36) ARKIF11PDK2PTGER4PGR

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 3541/4885KIF11 525/4885PDK2 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.