SCHEMBL1265490

SCHEMBL1265490

N[C@@H]1CCN(C(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2Nc2ccc(F)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
HTR7 P34969 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MTOR P42345 1/20 0.34
RPTOR Q8N122 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
KMT2A Q03164 3/20 0.33
NTRK1 P04629 3/20 0.33
BTK Q06187 1/20 0.33
PRSS12 P56730 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPK8 P45983 2/20 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
SCHEMBL1266253 1.00 ALDH1A1 (0.38) ALDH1A1LMNARECQLSMN1; SMN2HTR7
SCHEMBL1266542 1.00 ALDH1A1 (0.38) ALDH1A1LMNARECQLSMN1; SMN2HTR7
SCHEMBL1266862 0.95 ALDH1A1 (0.41) ALDH1A1LMNARECQLSMN1; SMN2HTR7
SCHEMBL1266863 0.93 ALDH1A1 (0.38) ALDH1A1LMNARECQLSMN1; SMN2KMT2A
SCHEMBL1266312 0.91 CXCR1 (0.39) ALDH1A1LMNARECQLSMN1; SMN2KMT2A
SCHEMBL1266914 0.91 CXCR1 (0.39) ALDH1A1LMNARECQLSMN1; SMN2KMT2A
SCHEMBL1266526 0.89 ALDH1A1 (0.41) ALDH1A1LMNARECQLSMN1; SMN2KMT2A
SCHEMBL3832563 0.89 ALDH1A1 (0.37) ALDH1A1LMNARECQLSMN1; SMN2MTOR
SCHEMBL3831256 0.89 ALDH1A1 (0.37) ALDH1A1LMNARECQLSMN1; SMN2MTOR
SCHEMBL1266507 0.88 HTR7 (0.37) ALDH1A1LMNARECQLHTR7KDM1A

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.