SCHEMBL22985029

SCHEMBL22985029

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
PDK2 Q15119 2/20 0.35
PDPK1 O15530 1/20 0.34
AR P10275 7/20 0.33
PTGER4 P35408 1/20 0.33
PGR P06401 1/20 0.32
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
SCHEMBL22985160 0.97 KIF11 (0.34) KIF11PDK2PDPK1ARPTGER4
SCHEMBL22985027 0.95 KIF11 (0.41) KIF11PDK2PDPK1ARPGR
SCHEMBL22985054 0.95 AR (0.36) KIF11PDK2PDPK1ARPTGER4
SCHEMBL20848908 0.95 KIF11 (0.36) KIF11PDK2PDPK1ARPTGER4
SCHEMBL22985476 0.94 PGR (0.32) KIF11PDK2PDPK1ARPTGER4
SCHEMBL22985122 0.94 PDK2 (0.37) KIF11PDK2PDPK1ARPTGER4
SCHEMBL22985162 0.94 KIF11 (0.36) KIF11PDK2PDPK1ARPGR
SCHEMBL24370445 0.94 KIF11 (0.38) KIF11PDK2PDPK1ARPTGER4
SCHEMBL22985293 0.93 AR (0.35) PDK2PDPK1AR
SCHEMBL22985295 0.93 AR (0.35) PDK2PDPK1AR

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 764/4885PDPK1 2545/4885

“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.