SCHEMBL21089882

SCHEMBL21089882

Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(C#N)cc3-c3nc(-c4ccccc4)nc(-c4cc(C#N)ccc4-n4c5cc(-c6ccccc6C)ccc5c5ccc(-c6ccccc6C)cc54)n3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.37
GABRA1 P14867 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRA3 P34903 2/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL21090397 0.97 MEN1 (0.37) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL20115012 0.92 ABCG2 (0.37) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL21090885 0.92 ABCG2 (0.37) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL20114508 0.91 PTGER4 (0.39) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL21090398 0.91 PTGER4 (0.39) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL20115006 0.91 CYP11B1 (0.37) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL21090874 0.89 ABCG2 (0.40) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL21090059 0.88 L3MBTL1 (0.40) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL20114661 0.88 L3MBTL1 (0.40) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL21090295 0.88 TRPA1 (0.40) ABCG2GABRA1GABRA5GABRA2GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 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 (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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 ABCG2 1311/4885GABRA1 3212/4885GABRA5 3514/4885

“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.