SCHEMBL19862133

SCHEMBL19862133

Cc1nc(-c2ccccc2)cc(-c2ccc(C#N)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
MYC P01106 1/20 0.54
KDM4E B2RXH2 3/20 0.52
ABCG2 Q9UNQ0 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ABCB1 P08183 1/20 0.50
ALDH1A3 P47895 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 2/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL19164377 0.98 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17051424 0.98 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19862189 0.93 GAA (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21636307 0.92 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19164671 0.88 ALDH1A1 (0.57) MYCKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL21636334 0.87 ALDH1A3 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19164181 0.86 GRM5 (0.51) MYCGAAMAOAMAOBSQOR
SCHEMBL19164370 0.85 GAA (0.53) GAAMAOAMAOBSQOR
SCHEMBL21636324 0.84 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17051423 0.84 ABCG2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3

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
WO-2020016233-A1 COMPOUND AND ORGANIC SEMICONDUCTING LAYER, ORGANIC ELECTRONIC DEVICE, DISPLAY DEVICE AND LIGHTING DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2020-01-23 WO disclosed
US-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 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-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ORC3, AOX1, RCOR3 GABRA1 2549/4885GABRG2 2933/4885GABRB3 1885/4885

“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.