SCHEMBL19862189

SCHEMBL19862189

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 1/20 0.46
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
MYC P01106 2/20 0.44
EGLN2 Q96KS0 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL19164671 0.94 ALDH1A1 (0.57) GAAMAOAMAOBALDH1A1CYP2A6
SCHEMBL19862133 0.93 GABRA1 (0.54) GAAMAOAMAOBALDH1A1MYC
SCHEMBL17051424 0.91 GABRA1 (0.56) GAAMAOAMAOBALDH1A1MYC
SCHEMBL19164377 0.91 GABRA1 (0.56) GAAMAOAMAOBALDH1A1MYC
SCHEMBL19164370 0.91 GAA (0.53) GAAMAOAMAOBHRH4HRH3
SCHEMBL19164661 0.90 GAA (0.51) GAAMAOAMAOBMYCGABRA1
SCHEMBL19164181 0.86 GRM5 (0.51) GAAMAOAMAOBMYC
SCHEMBL21636307 0.86 GABRA1 (0.51) GAAMAOAMAOBALDH1A1MYC
SCHEMBL13492147 0.83 ABCG2 (0.57) GAAMAOAMAOBALDH1A1HRH4
SCHEMBL17051425 0.83 ALDH1A1 (0.57) GAAALDH1A1CYP2A6HRH4HRH3

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-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 GAA 3918/4885MAOA 1867/4885MAOB 1020/4885

“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.