SCHEMBL21090398

SCHEMBL21090398

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1nc(-c2ccccc2)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.39
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCG2 Q9UNQ0 9/20 0.35
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL20114508 1.00 PTGER4 (0.39) PTGER4CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL21090885 0.97 ABCG2 (0.37) PTGER4CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL20115012 0.97 ABCG2 (0.37) PTGER4CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL22243191 0.96 PTGER4 (0.39) PTGER4CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL21090397 0.94 MEN1 (0.37) PTGER4CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL22242948 0.93 PTGER4 (0.38) PTGER4CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL21364349 0.93 PTGER4 (0.38) PTGER4CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL21364265 0.93 CYP1A2 (0.41) PTGER4CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL20150342 0.92 PTGER4 (0.39) PTGER4CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL22243104 0.92 PTGER4 (0.36) PTGER4CYP1A2CYP3A4CYP2D6MEN1

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 PTGER4 1798/4885CYP1A2 1161/4885CYP3A4 1274/4885

“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.