SCHEMBL3314064

SCHEMBL3314064

Cc1ccc(C(=O)NC2CC2)cc1NC(N)=S

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.61
MAPK11 Q15759 18/20 0.61
MAPK13 O15264 4/20 0.54
MAPK12 P53778 4/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL12676759 0.85 MAPK11 (0.65) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1417244 0.83 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3317398 0.83 NPC1 (0.67) MAPK14MAPK11MEN1KMT2A
SCHEMBL11965675 0.81 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12
SCHEMBL243751 0.81 MAPK11 (0.70) MAPK14MAPK11MAPK13MAPK12
SCHEMBL241982 0.81 HDAC1 (0.68) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3183420 0.81 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3523687 0.81 ALDH1A1 (0.60) MEN1KMT2A
SCHEMBL13523640 0.80 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12
SCHEMBL23591986 0.80 MAPK11 (0.60) MAPK14MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP disclosed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 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 (2 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-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 MAPK14 21/4885MAPK11 38/4885MAPK13 10/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 MAPK14 12/4885MAPK11 41/4885MAPK13 11/4885

“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.