SCHEMBL21399441

SCHEMBL21399441

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.39
KIF11 P52732 2/20 0.33
ELANE P08246 3/20 0.33
MAT2A P31153 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM5 P41594 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
PDPK1 O15530 1/20 0.31
CNR1 P21554 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 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
SCHEMBL21399460 0.96 PTGER4 (0.39) PTGER4KIF11ELANEMAT2ADGAT1
SCHEMBL21399442 0.95 KIF11 (0.35) PTGER4KIF11ELANEMAT2ADGAT1
SCHEMBL22985038 0.93 ALOX5AP (0.36) PTGER4KIF11ELANEMAT2APSEN1
SCHEMBL20849199 0.92 PTGER4 (0.37) PTGER4ELANEGRM5PDPK1
SCHEMBL21399456 0.92 KIF11 (0.35) PTGER4KIF11ELANEMAT2ADGAT1
SCHEMBL22985198 0.92 ALOX5AP (0.36) PTGER4KIF11ELANEMAT2APSEN1
SCHEMBL20848975 0.92 PTGER4 (0.36) PTGER4KIF11ELANEMAT2APSEN1
SCHEMBL22985113 0.91 ALOX5AP (0.37) PTGER4KIF11ELANEMAT2ADGAT1
SCHEMBL20848787 0.91 PTGER4 (0.37) PTGER4KIF11ELANEMAT2ADGAT1
SCHEMBL21399473 0.91 CYP1A2 (0.35) PTGER4KIF11MAT2ADGAT1SOAT1

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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 PTGER4 1117/4885KIF11 4281/4885ELANE 3696/4885

“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.