Sugi Predict

Sugi Predict / Compounds / SCHEMBL1265770

SCHEMBL1265770

SCHEMBL1265770

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccc(C)cc2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.50
▸ MAPT P10636 6/20 0.50
▸ NPSR1 Q6W5P4 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP2C19 P33261 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP3A4 P08684 1/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL1266825 0.91 MAPT (0.41) ALDH1A1MAPTNPSR1HPGDGAA
SCHEMBL1266318 0.91 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1HPGDGAA
SCHEMBL1265759 0.91 MAPT (0.52) ALDH1A1MAPTHPGDGAACYP2C19
SCHEMBL2957990 0.89 MAPT (0.39) ALDH1A1MAPTNPSR1HPGDGAA
SCHEMBL2953296 0.89 MEN1 (0.51) ALDH1A1MAPTNPSR1HPGDGAA
SCHEMBL2956836 0.89 MAPT (0.45) ALDH1A1MAPTNPSR1HPGDGAA
SCHEMBL2958963 0.88 MAPT (0.39) ALDH1A1MAPTNPSR1HPGDGAA
SCHEMBL2956160 0.88 MAPT (0.41) ALDH1A1MAPTNPSR1HPGDGAA
SCHEMBL1266876 0.87 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1HPGDGAA
SCHEMBL2950002 0.85 CDC7 (0.40) ALDH1A1MAPTNPSR1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System INTERMUNE, INC. (US) 2011-02-10 — — US disclosed
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 — — US disclosed
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 — — US disclosed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 — — 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 (3 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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 ALDH1A1 4333/4885MAPT 2018/4885NPSR1 2259/4885
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors MAP3K6, MAP4K2, MAP3K15 ALDH1A1 2586/4885MAPT 1567/4885NPSR1 4070/4885
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor MAPK1, MAPKAPK2, MAPK6 ALDH1A1 2989/4885MAPT 148/4885NPSR1 4001/4885

“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.