SCHEMBL21116880

SCHEMBL21116880

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3ccc(C#N)c(-n4c5ccc(-c6ccc(C#N)cc6)cc5c5cc(-c6ccc(C#N)cc6)ccc54)c3)ccc2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
KIF11 P52732 3/20 0.39
MMP3 P08254 1/20 0.38
PGR P06401 2/20 0.37
ICMT O60725 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CHEK1 O14757 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PLAU P00749 1/20 0.34
SCN7A Q01118 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B3 P37058 1/20 0.33

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
SCHEMBL28913586 0.94 GABRA1 (0.40) MAP4K4CYP11B1CYP11B2
SCHEMBL21116882 0.93 RORC (0.40) MAP4K4KIF11PGR
SCHEMBL21116481 0.92 CYP11B1 (0.35) MAP4K4KIF11MMP3PGRESR1
SCHEMBL21116856 0.89 CYP11B1 (0.36) MAP4K4PGRESR1ESR2CYP11B1
SCHEMBL30311704 0.88 CYP11B1 (0.39) CYP11B1CYP11B2
SCHEMBL28424749 0.88 CYP11B1 (0.39) CYP11B1CYP11B2
SCHEMBL21116902 0.88 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL21116512 0.88 CHEK1 (0.40) MAP4K4KIF11MMP3PGRESR1
SCHEMBL21116251 0.87 STS (0.41) MAP4K4CYP11B1CYP11B2
SCHEMBL17935058 0.87 ALDH1A1 (0.36) PGRCYP11B1CYP11B2

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 2 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
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 MAP4K4 3577/4885KIF11 3544/4885MMP3 1303/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 MAP4K4 3805/4885KIF11 3520/4885MMP3 1222/4885

“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.