Sugi Predict

Sugi Predict / Compounds / SCHEMBL3313848

SCHEMBL3313848

SCHEMBL3313848

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.47
▸ MAPK11 Q15759 9/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LCK P06239 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MAPK13 O15264 2/20 0.42
▸ MAPK12 P53778 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 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
SCHEMBL27635999 0.96 MAPK14 (0.50) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3346606 0.95 MAPT (0.49) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3345525 0.94 MAPK14 (0.49) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3317653 0.94 MAPK14 (0.46) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3317125 0.94 MAPK14 (0.49) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3351894 0.94 MAPK14 (0.52) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3317134 0.94 MAPK14 (0.49) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3319041 0.94 MAPK14 (0.49) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3345794 0.93 MAPK14 (0.53) MAPK14MAPK11MAPTTP53
SCHEMBL13538817 0.93 MAPK14 (0.47) MAPK14MAPK11MAPTTP53LMNA

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-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
CN-1829513-A 5-membered heterocycle-based p-38 inhibitors NOVARTIS AG (CH) 2006-09-06 — — CN 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
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 21/4885MAPK11 38/4885MAPT 725/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 MAPK14 12/4885MAPK11 41/4885MAPT 817/4885

“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.