SCHEMBL1265784

SCHEMBL1265784

CN(C)C1CN(C(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2Nc2ccc(F)cc2F)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 2/20 0.33
TP53 P04637 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPK14 Q16539 1/20 0.33
SMO Q99835 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
BRD4 O60885 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1266507 0.94 HTR7 (0.37) ALDH1A1LMNARECQLSMO
SCHEMBL1267400 0.94 HTR7 (0.37) ALDH1A1LMNARECQLSMO
SCHEMBL1267323 0.92 SMO (0.39) ALDH1A1LMNARECQLSMN1; SMN2KMT2A
SCHEMBL1267128 0.90 ALDH1A1 (0.39) ALDH1A1LMNARECQLGAATP53
SCHEMBL1266928 0.90 ALDH1A1 (0.39) ALDH1A1LMNARECQLGAATP53
SCHEMBL1266269 0.90 MAP2K1 (0.40) ALDH1A1LMNARECQLGAATP53
SCHEMBL1265676 0.90 ALDH1A1 (0.39) ALDH1A1LMNARECQLGAATP53
SCHEMBL1266549 0.90 ALDH1A1 (0.35) ALDH1A1LMNARECQLGAATP53
SCHEMBL1266863 0.89 ALDH1A1 (0.38) ALDH1A1LMNARECQLGAATP53
SCHEMBL3830953 0.88 ALDH1A1 (0.37) ALDH1A1LMNARECQLGAATP53

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.