Sugi Predict

Sugi Predict / Compounds / SCHEMBL3352426

SCHEMBL3352426

SCHEMBL3352426

COc1ccc(-c2nc(Nc3cc(C(=O)NC4CC4)ccc3C)sc2C(=O)NCc2ccccc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.49
▸ MAPK11 Q15759 3/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ TP53 P04637 5/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 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
SCHEMBL3345762 0.94 MAPK14 (0.47) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3352695 0.92 MAPK14 (0.47) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3345794 0.92 MAPK14 (0.53) MAPK14MAPK11TP53MAPTRAB9A
SCHEMBL3349382 0.90 MAPK14 (0.55) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL27635999 0.90 MAPK14 (0.50) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3318094 0.89 MAPK14 (0.48) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3318484 0.89 MAPK14 (0.44) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3345904 0.89 MAPK14 (0.50) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3346606 0.89 MAPT (0.49) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3313848 0.89 MAPK14 (0.47) MAPK14MAPK11ROCK2ROCK1TP53

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 11 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-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 38/4885ROCK2 416/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 MAPK14 12/4885MAPK11 41/4885ROCK2 482/4885

“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.