SCHEMBL19164181

SCHEMBL19164181

Cc1nc(-c2ccc(C#N)cc2)cc(-c2ccc(-c3ccccn3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.51
TGFBR1 P36897 2/20 0.49
FFAR1 O14842 1/20 0.49
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
SLC11A2 P49281 1/20 0.42
MYC P01106 1/20 0.42
SQOR Q9Y6N5 1/20 0.41

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
SCHEMBL19164678 0.87 FFAR1 (0.48) GRM5TGFBR1FFAR1METAP2METAP1
SCHEMBL19862133 0.86 GABRA1 (0.54) MAOAMAOBGAAMYCSQOR
SCHEMBL1010171 0.86 TGFBR1 (0.56) GRM5TGFBR1FFAR1METAP2METAP1
SCHEMBL27652584 0.86 TGFBR1 (0.56) GRM5TGFBR1FFAR1METAP2METAP1
SCHEMBL19862189 0.86 GAA (0.56) MAOAMAOBGAAMYC
SCHEMBL19164677 0.85 FFAR1 (0.58) GRM5TGFBR1FFAR1METAP2METAP1
SCHEMBL19164676 0.85 FFAR1 (0.58) GRM5TGFBR1FFAR1METAP2METAP1
SCHEMBL17051424 0.84 GABRA1 (0.56) MAOAMAOBGAAMYCSQOR
SCHEMBL19164377 0.84 GABRA1 (0.56) MAOAMAOBGAAMYCSQOR
SCHEMBL19164370 0.81 GAA (0.53) MAOAMAOBGAACYP2C9CYP2C19

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-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2017-07-27 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-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME OR51E2, OR10J3, ESR1 GRM5 3030/4885TGFBR1 3410/4885FFAR1 4635/4885

“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.