SCHEMBL3314095

SCHEMBL3314095

Cc1ccc(C(=O)NC2CC2)cc1NC(=S)NNC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 10/20 0.57
MAPK14 Q16539 10/20 0.57
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 1/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL3317398 0.90 NPC1 (0.67) MAPK11MAPK14RAB9AALDH1A1MAPT
SCHEMBL241982 0.87 HDAC1 (0.68) MAPK11MAPK14HDAC1HDAC8HDAC6
SCHEMBL10090842 0.80 MAPK11 (0.57) MAPK11MAPK14HDAC1HDAC8HDAC6
SCHEMBL3314064 0.79 MAPK14 (0.61) MAPK11MAPK14KMT2AMEN1MAPK13
SCHEMBL243751 0.79 MAPK11 (0.70) MAPK11MAPK14MAPK13MAPK12
SCHEMBL240047 0.79 MAPK11 (0.64) MAPK11MAPK14MAPK13MAPK12
SCHEMBL12676759 0.78 MAPK11 (0.65) MAPK11MAPK14MAPK13MAPK12
SCHEMBL240219 0.77 MAPK11 (0.65) MAPK11MAPK14RAB9AKMT2ANPC1
SCHEMBL10090837 0.77 MAPK11 (0.58) MAPK11MAPK14ALDH1A1MAPTHDAC1
SCHEMBL1752529 0.76 MAPK11 (0.61) MAPK11MAPK14HDAC1HDAC8HDAC6

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 4 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
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 MAPK11 38/4885MAPK14 21/4885RAB9A 1215/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 MAPK11 41/4885MAPK14 12/4885RAB9A 1402/4885

“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.