SCHEMBL22985646

SCHEMBL22985646

N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1c(-c2ccc(C(F)(F)F)cc2C#N)cccc1-n1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
MAT2A P31153 1/20 0.33
PTGES O14684 1/20 0.32
GABRA1 P14867 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PDK2 Q15119 2/20 0.31
CNR2 P34972 1/20 0.31
GABRA2 P47869 1/20 0.31
HRH1 P35367 2/20 0.31
HTR6 P50406 2/20 0.31
SCN9A Q15858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
AR P10275 1/20 0.30
SMO Q99835 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
SCHEMBL22985640 0.96 MAT2A (0.34) KIF11MAT2APTGESGABRA1GABRG2
SCHEMBL22985308 0.94 ALOX5AP (0.36) KIF11MAT2APTGESGABRA1GABRG2
SCHEMBL22984986 0.93 KIF11 (0.37) KIF11MAT2APTGESGABRA1GABRG2
SCHEMBL20848859 0.93 KIF11 (0.32) KIF11MAT2APTGESGABRA1GABRG2
SCHEMBL22985734 0.91 ELANE (0.33) KIF11MAT2APDK2CNR2HRH1
SCHEMBL22985446 0.90 KIF11 (0.33) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL22985185 0.90 KIF11 (0.36) KIF11PTGESGABRA1GABRG2GABRB3
SCHEMBL22985648 0.90 ALOX5AP (0.35) MAT2APTGESGABRA1GABRG2GABRB3
SCHEMBL22985428 0.90 ALOX5AP (0.39) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL22985186 0.90 HTR6 (0.35) KIF11ALOX5APFEN1PDK2CNR2

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 525/4885MAT2A 2649/4885PTGES 1251/4885

“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.