SCHEMBL20848825

SCHEMBL20848825

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C#N)c(-c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
AR P10275 6/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 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
XDH P47989 2/20 0.31
NR3C1 P04150 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20848827 0.96 AR (0.34) CYP2C9SCN9AARPSEN1PSEN2
SCHEMBL22985725 0.93 ALOX5AP (0.38) ARALOX5APFEN1PSEN1PSEN2
SCHEMBL22985042 0.92 AR (0.33) AR
SCHEMBL20849062 0.90 AR (0.39) CYP2C9SCN9AARALOX5APFEN1
SCHEMBL20848826 0.90 AR (0.36) CYP2C9SCN9AARALOX5APFEN1
SCHEMBL22985722 0.90 ALOX5AP (0.35) ARALOX5APFEN1PSEN1PSEN2
SCHEMBL20848881 0.89 AR (0.39) CYP2C9SCN9AARALOX5APFEN1
SCHEMBL22985430 0.88 PTGER4 (0.34) ARNR3C1
SCHEMBL20848595 0.88 CYP11B1 (0.32) ARPSEN1PSEN2APH1BNCSTN
SCHEMBL20849525 0.88 AR (0.38) CYP2C9SCN9AARALOX5APFEN1

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 CYP2C9 725/4885SCN9A 1664/4885AR 3706/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 CYP2C9 725/4885SCN9A 1664/4885AR 3706/4885

“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.