SCHEMBL1265809

SCHEMBL1265809

O=C(c1sc2c(ccc(=O)n2-c2ccccc2Cl)c1Nc1ccc(F)cc1F)N1CCC[C@@H]1COC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.33
DHODH Q02127 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HCRTR2 O43614 2/20 0.32
HCRTR1 O43613 1/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
CHRM3 P20309 2/20 0.30
MKNK1 Q9BUB5 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL1265873 0.91 HCRTR1 (0.35) HRH3HCRTR2HCRTR1CHRM3MKNK1
SCHEMBL1266902 0.89 HTR7 (0.32) MAPK14HRH3HCRTR2HCRTR1CHRM3
SCHEMBL1266647 0.88 P2RX3 (0.33) MAPK14DHODHHRH3ITGB1ITGA4
SCHEMBL1267280 0.87 HRH3 (0.37) MAPK14DHODHHRH3HCRTR2HCRTR1
SCHEMBL1265699 0.87 HTR7 (0.32) MAPK14HCRTR2HCRTR1CHRM3MKNK1
SCHEMBL1266654 0.85 MAPK14 (0.33) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1266975 0.85 MAPK14 (0.33) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1266906 0.84 HRH3 (0.35) HRH3HCRTR2
SCHEMBL1267018 0.79 HRH3 (0.34) HRH3
SCHEMBL1266634 0.79 HTR7 (0.33) HCRTR2HCRTR1HTR7

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 3 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

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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 MAPK14 51/4885DHODH 3819/4885HRH3 1577/4885
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 MAPK14 13/4885DHODH 2124/4885HRH3 1623/4885

“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.