SCHEMBL22985533

SCHEMBL22985533

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cccc(C#N)c2-c2c(-c3ccc(C#N)cc3C(F)(F)F)cccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
AR P10275 9/20 0.38
MAT2A P31153 1/20 0.34
PGR P06401 2/20 0.34
PTPN5 P54829 1/20 0.34
KIF11 P52732 1/20 0.33
ENPP1 P22413 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MCHR1 Q99705 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL22985150 0.95 KIF11 (0.39) PDK2ARPGRKIF11PDE3B
SCHEMBL20848867 0.94 MAT2A (0.38) PDK2ARMAT2APGRPTPN5
SCHEMBL22985633 0.93 AR (0.47) PDK2ARPGRKIF11ENPP1
SCHEMBL22985081 0.93 AR (0.35) PDK2ARPGRPTPN5KIF11
SCHEMBL22985455 0.92 AR (0.37) ARPGRKIF11PDE3BPDE3A
SCHEMBL22985532 0.92 AR (0.39) ARPGRPTPN5PDE3BPDE3A
SCHEMBL22985731 0.92 AR (0.34) PDK2ARPGRPDE3BPDE3A
SCHEMBL22985101 0.92 AR (0.34) PDK2ARMAT2APGRKIF11
SCHEMBL22985632 0.92 AR (0.42) PDK2ARPGRKIF11PDE3B
SCHEMBL22985149 0.92 KIF11 (0.36) PDK2ARPGRKIF11PDE3B

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 PDK2 764/4885AR 3541/4885MAT2A 2649/4885

“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.