SCHEMBL5618490

SCHEMBL5618490

CCn1c(C(C#N)c2ccnc(NCCc3ccc(N(C)C)nc3)n2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.49
MAPK9 P45984 3/20 0.49
MAPK8 P45983 1/20 0.49
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
MKNK1 Q9BUB5 7/20 0.37
MKNK2 Q9HBH9 7/20 0.37
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX5AP P20292 1/20 0.33
HTR7 P34969 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL5618342 0.87 HTT (0.37) MAPK10MAPK9MAPK8HTTLMNA
SCHEMBL5618494 0.87 MAPK10 (0.62) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL5618225 0.86 ALDH1A1 (0.47) MAPK10MAPK9MAPK8HTTLMNA
SCHEMBL3574117 0.82 MAPK10 (0.52) MAPK10MAPK9MAPK8GAAMKNK1
SCHEMBL5618086 0.80 MAPK10 (0.44) MAPK10MAPK9MAPK8HTTLMNA
SCHEMBL5618230 0.79 MAPK9 (0.54) MAPK10MAPK9MAPK8HTTGAA
SCHEMBL5617597 0.77 RAC1 (0.43) MAPK10MAPK9MAPK8GAAMKNK1
SCHEMBL5398186 0.75 MAPK8 (0.48) MAPK10MAPK9MAPK8HTTGAA
SCHEMBL5618317 0.75 ALDH1A1 (0.41) MAPK10MAPK9MAPK8HTTMKNK2
SCHEMBL5617848 0.74 MAPK8 (0.49) MAPK10MAPK9MAPK8GAAMKNK1

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-20070203134-A1 Benzimidazole Acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-30 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-20070203134-A1 Benzimidazole Acetonitriles PKD1, GPR119, CCNI MAPK10 4253/4885MAPK9 3702/4885MAPK8 2377/4885

“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.