SCHEMBL3317213

SCHEMBL3317213

Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2ccc(N3CCOCC3)cc2)c(C(=O)NCc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
MAPK11 Q15759 3/20 0.44
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
LCK P06239 1/20 0.44
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44
MAPK9 P45984 1/20 0.44
HDAC1 Q13547 1/20 0.43
BRAF P15056 3/20 0.43
RIPK2 O43353 2/20 0.43
MAPT P10636 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
AURKA O14965 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3346221 0.92 MAPK14 (0.54) MAPK14LMNAALDH1A1HTTMAPK11
SCHEMBL27635999 0.90 MAPK14 (0.50) MAPK14LMNAALDH1A1MAPK11MAPK13
SCHEMBL3813699 0.89 MAPK14 (0.46) MAPK14LMNAALDH1A1HTTMAPK11
SCHEMBL3313848 0.89 MAPK14 (0.47) MAPK14LMNAALDH1A1MAPK11MAPK13
SCHEMBL3346606 0.89 MAPT (0.49) MAPK14LMNAMAPK11MAPK13MAPK12
SCHEMBL3345525 0.88 MAPK14 (0.49) MAPK14LMNAALDH1A1MAPK11MAPK13
SCHEMBL3351894 0.87 MAPK14 (0.52) MAPK14LMNAMAPK11MAPK13MAPK12
SCHEMBL3317134 0.87 MAPK14 (0.49) MAPK14LMNAMAPK11MAPK13MAPK12
SCHEMBL3319041 0.87 MAPK14 (0.49) MAPK14LMNAMAPK11MAPK13MAPK12
SCHEMBL3317653 0.87 MAPK14 (0.46) MAPK14LMNAMAPK11MAPK13MAPK12

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 15 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 claimed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US claimed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP claimed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP claimed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
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
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 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-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 MAPK14 21/4885LMNA 1125/4885ALDH1A1 3347/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 MAPK14 12/4885LMNA 1333/4885ALDH1A1 3687/4885

“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.