SCHEMBL1265873

SCHEMBL1265873

O=C(c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F)N1CCC[C@@H]1COC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
CHRM3 P20309 4/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
KCNK3 O14649 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL1266902 0.96 HTR7 (0.32) HCRTR1HCRTR2CHRM3ALDH1A1HRH3
SCHEMBL1265699 0.93 HTR7 (0.32) HCRTR1HCRTR2CHRM3ALDH1A1MKNK1
SCHEMBL1265809 0.91 MAPK14 (0.33) HCRTR1HCRTR2CHRM3HRH3MKNK1
SCHEMBL1266917 0.86 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3ALDH1A1HRH3
SCHEMBL1265841 0.86 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3ALDH1A1HRH3
SCHEMBL1266932 0.86 HCRTR1 (0.36) HCRTR1HCRTR2CHRM3ALDH1A1TP53
SCHEMBL1266001 0.86 HCRTR1 (0.36) HCRTR1HCRTR2CHRM3ALDH1A1TP53
SCHEMBL1267018 0.85 HRH3 (0.34) ALDH1A1HRH3
SCHEMBL1266782 0.85 MAPT (0.38) HCRTR1HCRTR2ALDH1A1TP53SMN1; SMN2
SCHEMBL1266634 0.85 HTR7 (0.33) HCRTR1HCRTR2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3184/4885CHRM3 2882/4885
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 2381/4885CHRM3 3675/4885

“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.