SCHEMBL21116262

SCHEMBL21116262

N#Cc1ccc(-c2ccc(C#N)c(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2)cc1-n1c2cc(C(F)(F)F)ccc2c2ccc(C(F)(F)F)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KIF11 P52732 3/20 0.40
AR P10275 9/20 0.39
PGR P06401 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.34
MAT2A P31153 1/20 0.34
BCAT1 P54687 1/20 0.34

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
SCHEMBL21116476 0.94 KIF11 (0.48) CYP11B1CYP11B2KIF11ARPGR
SCHEMBL21116346 0.93 KIF11 (0.45) CYP11B1CYP11B2KIF11ARPGR
SCHEMBL21116870 0.89 CYP11B1 (0.42) CYP11B1CYP11B2KIF11ARPGR
SCHEMBL21116257 0.89 CYP11B1 (0.41) CYP11B1CYP11B2KIF11ARPGR
SCHEMBL21116272 0.88 AR (0.43) CYP11B1CYP11B2ARPGRALOX5AP
SCHEMBL21116849 0.87 KIF11 (0.41) CYP11B1CYP11B2KIF11ARPGR
SCHEMBL21116548 0.86 KIF11 (0.39) KIF11ARPGRMAT2A
SCHEMBL20114669 0.86 PSEN1 (0.36) CYP11B1CYP11B2KIF11ARALOX5AP
SCHEMBL21116263 0.85 KIF11 (0.42) CYP11B1CYP11B2KIF11ARPGR
SCHEMBL23798833 0.84 KIF11 (0.45) CYP11B1CYP11B2KIF11ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 CYP11B1 1343/4885CYP11B2 1090/4885KIF11 3544/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 CYP11B1 1257/4885CYP11B2 1121/4885KIF11 3520/4885

“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.