SCHEMBL1267237

SCHEMBL1267237

CC(C)(O)[C@@H]1CCCN1C(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PER2 O15055 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.32
CHRM4 P08173 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
TRPC3 Q13507 3/20 0.32
TRPC6 Q9Y210 3/20 0.32
TRPA1 O75762 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CHRM3 P20309 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1267362 1.00 KCNK3 (0.35) KCNK3ALDH1A1PER2SMN1; SMN2LMNA
SCHEMBL1266917 0.88 HCRTR1 (0.38) ALDH1A1LMNARECQLCHRM3
SCHEMBL1265841 0.88 HCRTR1 (0.38) ALDH1A1LMNARECQLCHRM3
SCHEMBL1266932 0.86 HCRTR1 (0.36) ALDH1A1SMN1; SMN2LMNARECQLTP53
SCHEMBL1266001 0.86 HCRTR1 (0.36) ALDH1A1SMN1; SMN2LMNARECQLTP53
SCHEMBL1267317 0.83 DPP4 (0.37) SMN1; SMN2TRPC3TRPC6TRPA1CACNA1C
SCHEMBL2955571 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNARECQLKDM4E
SCHEMBL1266187 0.82 RAB9A (0.37) SMN1; SMN2LMNATRPC3TRPC6TRPA1
SCHEMBL1267221 0.82 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNARECQLGAA
SCHEMBL1266526 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNARECQLMAPK8

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 KCNK3 2379/4885ALDH1A1 4333/4885PER2 1394/4885
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 KCNK3 2144/4885ALDH1A1 2989/4885PER2 3437/4885

“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.