SCHEMBL21116481

SCHEMBL21116481

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(-c2ccc(C#N)c(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)ccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
PGR P06401 2/20 0.33
KIF11 P52732 2/20 0.33
USP14 P54578 1/20 0.32
STS P08842 1/20 0.32
CYP17A1 P05093 1/20 0.32
MMP3 P08254 1/20 0.32
MAP4K4 O95819 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
AR P10275 2/20 0.30
CASP3 P42574 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL21116480 0.93 RORC (0.38) KDM4EALDH1A1GLAGAAIMPDH2
SCHEMBL21116880 0.92 MAP4K4 (0.39) CYP11B1CYP11B2PGRKIF11MMP3
SCHEMBL21116251 0.89 STS (0.41) CYP11B1CYP11B2STSMAP4K4KDM4E
SCHEMBL21116856 0.88 CYP11B1 (0.36) CYP11B1CYP11B2PGRMAP4K4ESR1
SCHEMBL21116277 0.87 CYP11B2 (0.35) CYP11B1CYP11B2KIF11USP14STS
SCHEMBL24927305 0.87 MEN1 (0.38) CYP11B1CYP11B2ALDH1A1
SCHEMBL28424749 0.87 CYP11B1 (0.39) CYP11B1CYP11B2KDM4EALDH1A1GLA
SCHEMBL30311704 0.87 CYP11B1 (0.39) CYP11B1CYP11B2KDM4EALDH1A1GLA
SCHEMBL17772250 0.87 PTGER4 (0.40) KDM4EALDH1A1GLAGAAIMPDH2
SCHEMBL28913586 0.87 GABRA1 (0.40) CYP11B1CYP11B2MAP4K4ALDH1A1

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 1090/4885PGR 2665/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 CYP11B1 1257/4885CYP11B2 1121/4885PGR 2701/4885

“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.