SCHEMBL1266928

SCHEMBL1266928

O=C(c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F)N1C[C@H](O)[C@@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
MAP2K1 Q02750 2/20 0.35
MAP2K2 P36507 1/20 0.35
GRIN2B Q13224 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.33
MAPK14 Q16539 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
EEF2K O00418 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
SCHEMBL1265676 1.00 ALDH1A1 (0.39) ALDH1A1LMNARECQLMAP2K1MAP2K2
SCHEMBL1267128 1.00 ALDH1A1 (0.39) ALDH1A1LMNARECQLMAP2K1MAP2K2
SCHEMBL1266269 0.95 MAP2K1 (0.40) ALDH1A1LMNARECQLMAP2K1MAP2K2
SCHEMBL1266863 0.92 ALDH1A1 (0.38) ALDH1A1LMNARECQLMAP2K1MAP2K2
SCHEMBL3830953 0.91 ALDH1A1 (0.37) ALDH1A1LMNARECQLMAP2K1MAP2K2
SCHEMBL1266312 0.90 CXCR1 (0.39) ALDH1A1LMNARECQLMAP2K1MAP2K2
SCHEMBL1266914 0.90 CXCR1 (0.39) ALDH1A1LMNARECQLMAP2K1MAP2K2
SCHEMBL1265784 0.90 ALDH1A1 (0.37) ALDH1A1LMNARECQLGRIN2BMEN1
SCHEMBL1266526 0.90 ALDH1A1 (0.41) ALDH1A1LMNARECQLKMT2ASMN1; SMN2
SCHEMBL2955571 0.89 ALDH1A1 (0.43) ALDH1A1LMNARECQLMAP2K1MAP2K2

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 ALDH1A1 4333/4885LMNA 3754/4885RECQL 3669/4885
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 2989/4885LMNA 3606/4885RECQL 3129/4885

“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.