SCHEMBL20910985

SCHEMBL20910985

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(C(F)(F)F)cc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.33
MAT2A P31153 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL20910836 0.97 XDH (0.36) XDHALOX5APFEN1PTGDR2MAT2A
SCHEMBL20910981 0.96 XDH (0.37) XDHALOX5APFEN1PTGDR2MAT2A
SCHEMBL20910531 0.96 XDH (0.37) XDHALOX5APFEN1PTGDR2MAT2A
SCHEMBL22985337 0.96 ALOX5AP (0.39) XDHALOX5APFEN1PTGDR2MAT2A
SCHEMBL22985040 0.95 ALOX5AP (0.38) XDHALOX5APFEN1PTGDR2MAT2A
SCHEMBL20910530 0.94 XDH (0.35) XDHALOX5APFEN1PTGDR2MAT2A
SCHEMBL22985328 0.94 ALOX5AP (0.38) XDHALOX5APFEN1PTGDR2MAT2A
SCHEMBL22985199 0.93 ALOX5AP (0.38) XDHALOX5APFEN1PTGDR2MAT2A
SCHEMBL20910793 0.93 XDH (0.38) XDHALOX5APFEN1PTGDR2MAT2A
SCHEMBL20910455 0.93 KIF11 (0.36) PTGDR2MAT2ADGAT1SOAT1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10998504-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-05-04 US disclosed
US-20190115544-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-18 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 (2 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-10998504-B2 Organic molecules for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 XDH 1900/4885ALOX5AP 3715/4885FEN1 3242/4885
US-20190115544-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD1, OCIAD2, POU2F1 XDH 1900/4885ALOX5AP 3715/4885FEN1 3242/4885

“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.