SCHEMBL20114995

SCHEMBL20114995

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
XDH P47989 2/20 0.33
PGR P06401 2/20 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
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL20150320 0.96 AR (0.36) ARALOX5APFEN1CYP2C9SCN9A
SCHEMBL21258607 0.91 PSEN1 (0.34) ARALOX5APFEN1CYP2C9SCN9A
SCHEMBL21108049 0.91 ALOX5AP (0.35) ARALOX5APFEN1CYP2C9SCN9A
SCHEMBL20114669 0.90 PSEN1 (0.36) ARALOX5APFEN1RAF1BRAF
SCHEMBL21109632 0.90 ALOX5AP (0.35) ARALOX5APFEN1CYP2C9SCN9A
SCHEMBL21108056 0.90 ALOX5AP (0.37) ARALOX5APFEN1CYP2C9SCN9A
SCHEMBL20111580 0.90 XDH (0.36) ARALOX5APFEN1CYP2C9SCN9A
SCHEMBL20112059 0.90 ALOX5AP (0.33) ALOX5APFEN1CYP2C9SCN9AXDH
SCHEMBL21116272 0.88 AR (0.43) ARALOX5APFEN1PGR
SCHEMBL20156179 0.88 AR (0.36) ARALOX5APFEN1CYP2C9SCN9A

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 EP 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 AR 3892/4885ALOX5AP 4191/4885FEN1 2120/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885ALOX5AP 4191/4885FEN1 2120/4885

“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.