SCHEMBL20655463

SCHEMBL20655463

N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.41
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 6/20 0.38
CYP3A4 P08684 6/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
MAPK1 P28482 2/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL21364954 0.99 NR3C1 (0.40) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL21375300 0.98 NR3C1 (0.41) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL21365063 0.98 NR3C1 (0.42) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL20655461 0.97 TRPA1 (0.40) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL22647370 0.97 NR3C1 (0.40) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL20654957 0.96 GABRG2 (0.40) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL20655176 0.96 GABRG2 (0.40) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL24125264 0.96 NR3C1 (0.40) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL21365072 0.96 NR3C1 (0.40) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL26052682 0.96 NR3C1 (0.40) NR3C1TRPA1CYP1A2CYP3A4ALDH1A1

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-11005048-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-05-11 US disclosed
US-20190019960-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-17 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-20190019960-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, ORC3 NR3C1 3461/4885TRPA1 109/4885CYP1A2 871/4885
US-11005048-B2 Organic molecules, in particular for use in optoelectronic devices OR10J3, OR51E2, ORC3 NR3C1 3461/4885TRPA1 109/4885CYP1A2 871/4885

“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.