SCHEMBL1266932

SCHEMBL1266932

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
CHRM3 P20309 4/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
CSF1R P07333 1/20 0.32
SLC8A1 P32418 1/20 0.32
MAP2K1 Q02750 1/20 0.32
FFAR1 O14842 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 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
SCHEMBL1266001 1.00 HCRTR1 (0.36) HCRTR1HCRTR2ALDH1A1HRH3LMNA
SCHEMBL1266917 0.93 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1HRH3LMNA
SCHEMBL1265841 0.93 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1HRH3LMNA
SCHEMBL1267317 0.88 DPP4 (0.37) HCRTR1HCRTR2HRH3CHRM3NPC1
SCHEMBL1267237 0.86 KCNK3 (0.35) ALDH1A1LMNARECQLCHRM3SMN1; SMN2
SCHEMBL1267362 0.86 KCNK3 (0.35) ALDH1A1LMNARECQLCHRM3SMN1; SMN2
SCHEMBL1265873 0.86 HCRTR1 (0.35) HCRTR1HCRTR2ALDH1A1HRH3CHRM3
SCHEMBL1266187 0.85 RAB9A (0.37) HCRTR1HCRTR2HRH3LMNANPC1
SCHEMBL1266798 0.85 HRH3 (0.34) HCRTR1HCRTR2ALDH1A1HRH3SLC8A1
SCHEMBL2955571 0.84 ALDH1A1 (0.43) ALDH1A1LMNARECQLHTTMAP2K1

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 HCRTR1 3680/4885HCRTR2 3184/4885ALDH1A1 4333/4885
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 HCRTR1 2830/4885HCRTR2 2381/4885ALDH1A1 2989/4885

“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.