SCHEMBL1265729

SCHEMBL1265729

O=C(c1sc2c(ccc(=O)n2-c2ccccc2Cl)c1Nc1ccc(F)cc1F)N1CC[C@H](O)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.37
MAPK11 Q15759 3/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
KCNH2 Q12809 1/20 0.36
MAP2K1 Q02750 2/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
C5AR1 P21730 1/20 0.33
P2RX7 Q99572 1/20 0.33
PRSS12 P56730 2/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP2K2 P36507 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 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
SCHEMBL1267180 1.00 MAPK14 (0.37) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1266312 0.89 CXCR1 (0.39) KCNH2MAP2K1CXCR1CXCR2ALDH1A1
SCHEMBL1266914 0.89 CXCR1 (0.39) KCNH2MAP2K1CXCR1CXCR2ALDH1A1
SCHEMBL1267450 0.87 MAP2K1 (0.38) KCNH2MAP2K1CXCR1CXCR2ALDH1A1
SCHEMBL1265858 0.87 MAP2K1 (0.38) KCNH2MAP2K1CXCR1CXCR2ALDH1A1
SCHEMBL1266556 0.85 CHRNA7 (0.35) MAP2K1CXCR1CXCR2ALDH1A1
SCHEMBL1266654 0.85 MAPK14 (0.33) MAPK14MAPK11MAPK13MAPK12ALDH1A1
SCHEMBL1266975 0.85 MAPK14 (0.33) MAPK14MAPK11MAPK13MAPK12ALDH1A1
SCHEMBL1267007 0.84 MAP2K1 (0.38) KCNH2MAP2K1CXCR1CXCR2ALDH1A1
SCHEMBL1266728 0.84 MAP2K1 (0.38) KCNH2MAP2K1CXCR1CXCR2ALDH1A1

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 MAPK14 51/4885MAPK11 168/4885MAPK13 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 MAPK14 13/4885MAPK11 41/4885MAPK13 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.