SCHEMBL6436675

SCHEMBL6436675

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc([As](C)c3ccncc3)c3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.64
MAPK12 P53778 16/20 0.64
HCK P08631 6/20 0.64
TNF P01375 2/20 0.64
MAPK13 O15264 6/20 0.64
MAPK11 Q15759 6/20 0.64
DDR2 Q16832 1/20 0.64
SRC P12931 3/20 0.58
BRAF P15056 3/20 0.58
PTK2 Q05397 1/20 0.58

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
SCHEMBL29593428 0.85 MAPK14 (0.69) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL295357 0.85 MAPK14 (0.69) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL296301 0.82 MAPK14 (0.73) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL6298539 0.81 MAPK14 (0.76) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL296302 0.81 MAPK14 (0.64) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL296828 0.81 MAPK14 (0.64) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL296829 0.81 MAPK14 (0.64) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL29594890 0.81 MAPK14 (0.64) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL29594163 0.81 MAPK14 (0.77) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL295665 0.81 MAPK14 (0.77) MAPK14MAPK12HCKTNFMAPK13

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-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-28 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-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors CHRM3, CHRNB1, CHRM2 MAPK14 83/4885MAPK12 75/4885HCK 420/4885

“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.