SCHEMBL5836730

SCHEMBL5836730

CCOC(=O)Cn1ncc(-c2ccc3c(c2)n(CC)c(=O)n3CC)c1-c1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.56
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.44
S1PR1 P21453 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
BRD4 O60885 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5837218 0.90 MAPK14 (0.59) MAPK14MEN1KMT2AGRIN1GRIN2B
SCHEMBL5837967 0.90 MAPK14 (0.53) MAPK14SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5837909 0.86 MAPK14 (0.55) MAPK14ALDH1A1GRIN1GRIN2B
SCHEMBL5836924 0.84 MAPK14 (0.53) MAPK14GRIN2B
SCHEMBL5837230 0.84 MAPK14 (0.53) MAPK14SMN1; SMN2ALDH1A1GRIN1GRIN2B
SCHEMBL5837238 0.84 MAPK14 (0.49) MAPK14SMN1; SMN2KMT2AGRIN1GRIN2B
SCHEMBL5837054 0.84 MAPK14 (0.52) MAPK14GRIN2B
SCHEMBL5837041 0.83 MAPK14 (0.50) MAPK14ALDH1A1GRIN1GRIN2B
SCHEMBL9877901 0.83 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1S1PR1MEN1KMT2A
SCHEMBL5836936 0.82 GRIN2B (0.51) MAPK14GRIN2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056918-B2 Benzimidazole anti-inflammatory compounds PFIZER, INC. (US) 2006-06-06 US disclosed
EP-1370557-B1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2005-11-16 EP disclosed
EP-1370557-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS Pfizer Products Inc. (US) 2003-12-17 EP disclosed
US-20030092749-A1 Novel benzimidazole anti-inflammatory compounds PFIZER INC. 2003-05-15 US disclosed
WO-2002072576-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-09-19 WO 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-20030092749-A1 Novel benzimidazole anti-inflammatory compounds MAPK1, JAK1, CNKSR1 MAPK14 22/4885SMN1; SMN2 1612/4885ALDH1A1 1806/4885

“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.