SCHEMBL4839615

SCHEMBL4839615

Nc1nc2cc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)ccc2[nH]1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.83
CYP3A4 P08684 3/20 0.55
CSNK1D P48730 2/20 0.54
CSNK1E P49674 2/20 0.54
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46

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
SCHEMBL4839601 0.91 MAPK14 (1.00) MAPK14CYP3A4CSNK1DCSNK1E
SCHEMBL4830346 0.76 MAPK14 (0.73) MAPK14CYP3A4CSNK1DCSNK1E
SCHEMBL3827667 0.75 ALDH1A1 (0.58) MAPK14
SCHEMBL5682985 0.74 BACE1 (0.52) MAPK14
SCHEMBL5772038 0.74 CYP3A4 (0.54) MAPK14CYP3A4
SCHEMBL6210984 0.73 MAPK14 (0.60) MAPK14CYP3A4CSNK1DCSNK1E
SCHEMBL5679180 0.73 TAAR1 (0.50) MAPK14
SCHEMBL7659118 0.72 ALDH1A1 (0.54) CYP3A4
SCHEMBL4838574 0.71 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL17002318 0.70 MAPK14 (1.00) MAPK14CSNK1DCSNK1EMAPK13RAF1

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-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 MAPK14 10/4885CYP3A4 2862/4885CSNK1D 713/4885

“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.