SCHEMBL12377530

SCHEMBL12377530

[C-]#[N+]c1ccc2[nH]c(-c3ccncc3)c(-c3ccoc3C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.42
RAF1 P04049 5/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MET P08581 8/20 0.39
MAPK14 Q16539 2/20 0.36
ADORA2A P29274 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12377502 0.83 DYRK1A (0.54) DYRK1ARAF1METMAPK14MAPK13
SCHEMBL2285129 0.81 MET (0.63) DYRK1ARAF1TSHRMEN1KMT2A
SCHEMBL12377529 0.81 NSD3 (0.43) DYRK1ARAF1MEN1KMT2AMET
SCHEMBL12377494 0.78 RAF1 (0.63) DYRK1ARAF1METMAPK14MAPK13
SCHEMBL12377492 0.76 MET (0.47) DYRK1ARAF1METMAPK14MAPK13
SCHEMBL12377508 0.76 MET (0.63) DYRK1ARAF1METMAPK14MAPK13
SCHEMBL12377503 0.76 MET (0.63) DYRK1ARAF1METMAPK14MAPK13
SCHEMBL12377497 0.76 DYRK1A (0.49) DYRK1ARAF1METMAPK14MAPK13
SCHEMBL12377501 0.74 DYRK1A (0.44) DYRK1ARAF1METMAPK14MAPK13
SCHEMBL12377518 0.74 MET (0.53) DYRK1ARAF1METMAPK14MAPK13

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-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET DYRK1A 153/4885RAF1 281/4885TSHR 499/4885

“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.