SCHEMBL3317469

SCHEMBL3317469

COc1ccccc1-c1csc(Nc2cc(C(=O)NC3CC3)ccc2C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
PTK2 Q05397 7/20 0.53
TP53 P04637 1/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
VCP P55072 1/20 0.49
CSNK2A1 P68400 1/20 0.49
MAPK14 Q16539 4/20 0.48
MAPK11 Q15759 3/20 0.47
CDK9 P50750 1/20 0.47
PTGS2 P35354 1/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3315767 0.85 MAPK14 (0.58) MAPTKDM4ECSNK2A1MAPK14MAPK11
SCHEMBL3319102 0.83 MAPK14 (0.58) TP53MAPTKDM4EMAPK1VCP
SCHEMBL3317197 0.83 CSNK2A1 (0.58) MAPTKDM4ECSNK2A1MAPK14MAPK11
SCHEMBL3314066 0.81 MAPK14 (0.59) TP53MAPTKDM4EMAPK1MAPK14
SCHEMBL3313975 0.79 MAPK14 (0.50) MAPTKDM4EMAPK14MAPK11MEN1
SCHEMBL13538872 0.78 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3317604 0.77 LMNA (0.52) MAPTKDM4EMAPK1MAPK14MAPK11
SCHEMBL3314147 0.77 MAPK14 (0.58) MAPTKDM4EVCPMAPK14MAPK11
SCHEMBL3318094 0.77 MAPK14 (0.48) PTK2TP53MAPTKDM4EMAPK14
SCHEMBL5025037 0.77 MAPK14 (0.53) MAPTMAPK1MAPK14MAPK11MEN1

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 10 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-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 HPGDS 775/4885PTK2 244/4885TP53 552/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 HPGDS 680/4885PTK2 242/4885TP53 474/4885

“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.