SCHEMBL1266634

SCHEMBL1266634

Cc1cc(Nc2c(C(=O)N3CCC[C@@H]3COC3CCCCO3)sc3c2ccc(=O)n3-c2ccc(F)cc2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.33
P2RX3 P56373 3/20 0.32
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
ALDH1A1 P00352 1/20 0.31
F2RL3 Q96RI0 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
SCHEMBL3833958 0.96 P2RX3 (0.32) P2RX3
SCHEMBL1266902 0.89 HTR7 (0.32) HTR7HCRTR1HCRTR2ALDH1A1F2RL3
SCHEMBL1266647 0.89 P2RX3 (0.33) P2RX3
SCHEMBL1265699 0.88 HTR7 (0.32) HTR7HCRTR1HCRTR2ALDH1A1
SCHEMBL1267431 0.86 RAB9A (0.37) HTR7HCRTR1HCRTR2ALDH1A1
SCHEMBL1265114 0.86 MAPT (0.34) HCRTR1HCRTR2ALDH1A1
SCHEMBL1265295 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1266782 0.85 MAPT (0.38) HCRTR1HCRTR2ALDH1A1
SCHEMBL1265873 0.85 HCRTR1 (0.35) HCRTR1HCRTR2ALDH1A1
SCHEMBL1267018 0.83 HRH3 (0.34) P2RX3ALDH1A1

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 HTR7 1515/4885P2RX3 1407/4885HCRTR1 3680/4885
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 HTR7 781/4885P2RX3 1858/4885HCRTR1 2830/4885

“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.