SCHEMBL22563525

SCHEMBL22563525

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5C)cc43)c(-n3c4ccccc4c4ccc(-c5ccccc5C)cc43)cc2C#N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
TRPA1 O75762 2/20 0.34
TGFBR1 P36897 1/20 0.34
IMPDH2 P12268 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.33
KDM4E B2RXH2 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA2 P47869 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL22563527 0.97 AR (0.42) ARTRPA1TGFBR1IMPDH2ABCG2
SCHEMBL23487724 0.94 AR (0.40) ARTRPA1TGFBR1IMPDH2ABCG2
SCHEMBL23487794 0.93 TRPA1 (0.40) TRPA1TGFBR1KDM4EALDH1A1HPGD
SCHEMBL21108811 0.92 AR (0.40) ARTRPA1TGFBR1IMPDH2KDM4E
SCHEMBL23487727 0.92 AR (0.41) ARTRPA1TGFBR1IMPDH2ABCG2
SCHEMBL23487353 0.91 GRM2 (0.35) ARTRPA1TGFBR1ABCG2KDM4E
SCHEMBL19909537 0.91 AR (0.40) ARTRPA1TGFBR1IMPDH2KDM4E
SCHEMBL23487292 0.89 CYP1A2 (0.38) ABCG2KDM4EALDH1A1GLAHPGD
SCHEMBL23487234 0.89 TRPA1 (0.42) TRPA1TGFBR1KDM4EALDH1A1HPGD
SCHEMBL23487650 0.88 MAOA (0.33) ARABCG2KDM4EALDH1A1GLA

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP 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 (1 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 AR 4552/4885TRPA1 27/4885TGFBR1 2907/4885

“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.