SCHEMBL1266969

SCHEMBL1266969

O=C(c1sc2c(ccc(=O)n2-c2ccc(F)cc2)c1Br)N1CCC[C@@H]1COC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
HCRTR1 O43613 5/20 0.32
HCRTR2 O43614 5/20 0.32
HTR7 P34969 1/20 0.32
F2RL3 Q96RI0 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
SCHEMBL1267229 0.92 FFAR1 (0.32)
SCHEMBL1267375 0.92 HRH3 (0.33) HRH3HCRTR1HCRTR2
SCHEMBL3110901 0.89 RAB9A (0.33) HRH3HCRTR1HCRTR2
SCHEMBL3107145 0.89 RAB9A (0.33) HRH3HCRTR1HCRTR2
SCHEMBL1266902 0.86 HTR7 (0.32) HRH3HCRTR1HCRTR2HTR7F2RL3
SCHEMBL1266906 0.85 HRH3 (0.35) HRH3HCRTR2
SCHEMBL1266849 0.83 HRH3 (0.39) HRH3HCRTR1HCRTR2
SCHEMBL1266634 0.83 HTR7 (0.33) HCRTR1HCRTR2HTR7F2RL3
SCHEMBL1265699 0.82 HTR7 (0.32) HCRTR1HCRTR2HTR7
SCHEMBL1265873 0.82 HCRTR1 (0.35) HRH3HCRTR1HCRTR2

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 HRH3 1577/4885HCRTR1 3680/4885HCRTR2 3184/4885
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 HRH3 1623/4885HCRTR1 2830/4885HCRTR2 2381/4885

“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.