SCHEMBL20848975

SCHEMBL20848975

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
ELANE P08246 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
TRPA1 O75762 1/20 0.31
KIF11 P52732 1/20 0.30
MAT2A P31153 1/20 0.30
AR P10275 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL20848787 0.97 PTGER4 (0.37) PTGER4CYP2C9SCN9AELANEALOX5AP
SCHEMBL20848698 0.97 PTGER4 (0.37) PTGER4CYP2C9SCN9AELANEALOX5AP
SCHEMBL20848976 0.96 CYP2C9 (0.33) CYP2C9SCN9AELANEALOX5APFEN1
SCHEMBL22985576 0.95 PTGER4 (0.38) PTGER4TRPA1ARPSEN1PSEN2
SCHEMBL21399460 0.93 PTGER4 (0.39) PTGER4ELANEKIF11MAT2APSEN1
SCHEMBL20848711 0.93 CYP2C9 (0.33) CYP2C9SCN9AELANEALOX5APFEN1
SCHEMBL20848708 0.93 ALOX5AP (0.34) PTGER4CYP2C9SCN9AELANEALOX5AP
SCHEMBL20848784 0.93 ALOX5AP (0.34) PTGER4CYP2C9SCN9AELANEALOX5AP
SCHEMBL22985198 0.92 ALOX5AP (0.36) PTGER4ELANEALOX5APFEN1KIF11
SCHEMBL22243059 0.92 EDNRB (0.33) PTGER4CYP2C9SCN9AALOX5APFEN1

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 PTGER4 3716/4885CYP2C9 725/4885SCN9A 1664/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 PTGER4 3716/4885CYP2C9 725/4885SCN9A 1664/4885

“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.