SCHEMBL20115012

SCHEMBL20115012

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

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 3/20 0.36
CYP3A4 P08684 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 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
SCHEMBL21090885 1.00 ABCG2 (0.37) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL20114508 0.97 PTGER4 (0.39) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL21090398 0.97 PTGER4 (0.39) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL22243191 0.93 PTGER4 (0.39) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL21364347 0.93 ABCG2 (0.38) ABCG2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL21364450 0.92 CYP1A2 (0.41) ABCG2CYP1A2CYP3A4CLK4MEN1
SCHEMBL21089882 0.92 ABCG2 (0.37) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL20150343 0.92 ABCG2 (0.37) ABCG2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL21090397 0.91 MEN1 (0.37) ABCG2GABRA1GABRA5GABRA2GABRA3
SCHEMBL21090882 0.91 ABCG2 (0.35) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 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 (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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 ABCG2 2585/4885GABRA1 2614/4885GABRA5 3393/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885GABRA1 2614/4885GABRA5 3393/4885

“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.