SCHEMBL1267280

SCHEMBL1267280

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
DHODH Q02127 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
RAB9A P51151 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
APOL1 O14791 1/20 0.34
NTRK1 P04629 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPC3 Q13507 3/20 0.33
TRPC6 Q9Y210 3/20 0.33
TRPA1 O75762 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL1265841 0.89 HCRTR1 (0.38) HRH3DPP4DPP8RAB9AHCRTR1
SCHEMBL1266917 0.89 HCRTR1 (0.38) HRH3DPP4DPP8RAB9AHCRTR1
SCHEMBL1267317 0.88 DPP4 (0.37) HRH3DPP4DPP8RAB9AHCRTR1
SCHEMBL1265809 0.87 MAPK14 (0.33) HRH3MAPK14MAPK13MAPK12MAPK11
SCHEMBL1267553 0.85 RAB9A (0.37) HRH3DHODHRAB9ANTRK1
SCHEMBL1267550 0.85 RAB9A (0.37) HRH3DHODHRAB9ANTRK1
SCHEMBL1266187 0.85 RAB9A (0.37) HRH3DPP4DPP8RAB9AHCRTR1
SCHEMBL1265729 0.83 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1267180 0.83 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1266001 0.82 HCRTR1 (0.36) HRH3HCRTR1HCRTR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 US claimed
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 claimed
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 HRH3 1577/4885MAPK14 51/4885MAPK13 50/4885
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 HRH3 1623/4885MAPK14 13/4885MAPK13 16/4885

“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.