SCHEMBL20111602

SCHEMBL20111602

N#Cc1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c(-n5c6ccccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)cc4C#N)c3c2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.34
AR P10275 8/20 0.33
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
PGR P06401 3/20 0.32
TRPA1 O75762 1/20 0.31
PTPN5 P54829 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
SCN9A Q15858 2/20 0.30
PDPK1 O15530 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL21258598 0.96 RXRA (0.34) KIF11ARRXRARXRGPGR
SCHEMBL20111880 0.95 AR (0.34) KIF11ARRXRARXRGPGR
SCHEMBL20112011 0.94 TRPA1 (0.35) KIF11ARRXRARXRGPGR
SCHEMBL20111883 0.94 PTPN5 (0.39) KIF11ARPGRTRPA1PTPN5
SCHEMBL21258783 0.94 KIF11 (0.39) KIF11ARPGRTRPA1PTPN5
SCHEMBL21258818 0.93 KIF11 (0.36) KIF11ARPGRTRPA1ALOX5AP
SCHEMBL25658763 0.93 AR (0.34) KIF11ARPGRTRPA1SCN9A
SCHEMBL25659741 0.93 KIF11 (0.36) KIF11ARRXRARXRGPGR
SCHEMBL21258793 0.92 KIF11 (0.36) KIF11ARRXRARXRGPGR
SCHEMBL20111879 0.91 RXRA (0.34) KIF11ARRXRARXRGPGR

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 KIF11 3426/4885AR 4611/4885RXRA 1755/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3661/4885AR 4386/4885RXRA 3082/4885

“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.