SCHEMBL20111580

SCHEMBL20111580

Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4cc(C#N)c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4-n4c5cc(-c6nc(C)nc(C)n6)ccc5c5ccc(-c6nc(C)nc(C)n6)cc54)c3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
AR P10275 5/20 0.33
SCN9A Q15858 2/20 0.32
PDE2A O00408 2/20 0.32
CYP2C9 P11712 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE10A Q9Y233 1/20 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
SCHEMBL21258871 0.95 TRPA1 (0.35) XDHALOX5APFEN1TRPA1TSHR
SCHEMBL21258607 0.93 PSEN1 (0.34) XDHALOX5APFEN1TSHRSMN1; SMN2
SCHEMBL21108056 0.92 ALOX5AP (0.37) XDHALOX5APFEN1TSHRSMN1; SMN2
SCHEMBL20111578 0.92 XDH (0.36) XDHALOX5APFEN1TRPA1TSHR
SCHEMBL25659605 0.90 TRPA1 (0.34) XDHTRPA1ARABCG2PDE3B
SCHEMBL20111881 0.90 KIF11 (0.35) XDHALOX5APFEN1TRPA1PSEN1
SCHEMBL20111576 0.90 TRPA1 (0.35) XDHALOX5APFEN1TRPA1TSHR
SCHEMBL20114995 0.90 AR (0.36) XDHALOX5APFEN1PSEN1PSEN2
SCHEMBL20111577 0.89 TRPA1 (0.38) XDHALOX5APFEN1TRPA1AR
SCHEMBL20616823 0.88 TRPA1 (0.46) TRPA1ARABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 XDH 291/4885ALOX5AP 2592/4885FEN1 1121/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 XDH 92/4885ALOX5AP 3253/4885FEN1 1286/4885

“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.