SCHEMBL3345794

SCHEMBL3345794

COc1ccc(-c2nc(Nc3cc(C(=O)NC4CC4)ccc3C)sc2C(=O)NCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.53
TP53 P04637 4/20 0.51
MAPK11 Q15759 2/20 0.51
ADORA1 P30542 3/20 0.45
ADORA3 P0DMS8 4/20 0.45
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DHODH Q02127 1/20 0.43
KLK7 P49862 1/20 0.43
SCD O00767 1/20 0.43

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
SCHEMBL27635999 0.94 MAPK14 (0.50) MAPK14TP53MAPK11MAPTDHODH
SCHEMBL3347281 0.93 MAPT (0.49) MAPK14TP53MAPK11ADORA3MAPT
SCHEMBL3313848 0.93 MAPK14 (0.47) MAPK14TP53MAPK11MAPT
SCHEMBL3346606 0.93 MAPT (0.49) MAPK14TP53MAPK11ADORA1ADORA3
SCHEMBL3349382 0.92 MAPK14 (0.55) MAPK14TP53MAPK11MAPTNPC1
SCHEMBL3345525 0.92 MAPK14 (0.49) MAPK14TP53MAPK11MAPT
SCHEMBL3346424 0.92 MAPK14 (0.46) MAPK14TP53MAPK11MAPT
SCHEMBL3352426 0.92 MAPK14 (0.49) MAPK14TP53MAPK11MAPTRAB9A
SCHEMBL3351894 0.91 MAPK14 (0.52) MAPK14TP53MAPK11MAPT
SCHEMBL3319041 0.91 MAPK14 (0.49) MAPK14TP53MAPK11MAPT

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
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
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP 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 21/4885TP53 552/4885MAPK11 38/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 MAPK14 12/4885TP53 474/4885MAPK11 41/4885

“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.