SCHEMBL3345758

SCHEMBL3345758

Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2cccc(OCCN3CCOCC3)c2)c(C(=O)NCc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
PPARG P37231 1/20 0.45
HDAC1 Q13547 3/20 0.43
AVPR1B P47901 1/20 0.43
MAPK14 Q16539 5/20 0.42
GLS O94925 2/20 0.41
HTR7 P34969 2/20 0.41
KDM1A O60341 1/20 0.41
LCK P06239 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
AURKB Q96GD4 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
ABL1 P00519 1/20 0.40
TUBB4A P04350 1/20 0.40

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
SCHEMBL3812258 0.91 ROCK2 (0.44) ROCK2ROCK1PPARGHDAC1AVPR1B
SCHEMBL3316353 0.88 MAPK14 (0.46) ROCK2ROCK1MAPK14MAPK11
SCHEMBL3349897 0.88 MAPK14 (0.45) ROCK2ROCK1MAPK14MAPK11MAPK13
SCHEMBL3345756 0.88 MAPK14 (0.48) ROCK2ROCK1MAPK14MAPK11
SCHEMBL3349382 0.87 MAPK14 (0.55) ROCK2ROCK1MAPK14MAPK11
SCHEMBL3345904 0.84 MAPK14 (0.50) ROCK2ROCK1MAPK14MAPK11MAPK13
SCHEMBL3317213 0.84 MAPK14 (0.49) HDAC1MAPK14LCKKITKDR
SCHEMBL27635999 0.84 MAPK14 (0.50) ROCK2ROCK1PPARGMAPK14LCK
SCHEMBL3346221 0.84 MAPK14 (0.54) MAPK14LCKKITKDRMAPK9
SCHEMBL3594171 0.83 MAPK14 (0.47) ROCK2ROCK1MAPK14MAPK11MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ROCK2 416/4885ROCK1 248/4885PPARG 691/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 ROCK2 482/4885ROCK1 311/4885PPARG 954/4885

“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.