SCHEMBL21090874

SCHEMBL21090874

N#Cc1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.40
ABCB1 P08183 4/20 0.40
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 1/20 0.38
CLK4 Q9HAZ1 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL21090896 0.97 CYP1A2 (0.38) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL20114581 0.96 ABCG2 (0.39) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL21090889 0.95 CYP1A2 (0.44) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL21090887 0.95 CYP1A2 (0.39) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL20655328 0.94 ABCG2 (0.41) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL20996887 0.94 ABCG2 (0.42) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL21090060 0.93 CYP1A2 (0.41) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL21089883 0.92 CYP1A2 (0.39) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL21090297 0.92 CYP1A2 (0.44) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL20150388 0.92 MEN1 (0.38) ABCG2ABCB1GABRA1GABRG2GABRB3

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 1311/4885ABCB1 611/4885GABRA1 3212/4885

“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.