SCHEMBL1266902

SCHEMBL1266902

O=C(c1sc2c(ccc(=O)n2-c2ccc(F)cc2)c1Nc1ccc(F)cc1F)N1CCC[C@@H]1COC1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MAP2K1 Q02750 2/20 0.31
CHRM3 P20309 1/20 0.30
F2RL3 Q96RI0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK14 Q16539 1/20 0.30
CSF1R P07333 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL1265699 0.96 HTR7 (0.32) HTR7HCRTR1HCRTR2MKNK1MAP2K1
SCHEMBL1265873 0.96 HCRTR1 (0.35) HRH3HCRTR1HCRTR2MKNK1CHRM3
SCHEMBL1265809 0.89 MAPK14 (0.33) HTR7HRH3HCRTR1HCRTR2MKNK1
SCHEMBL1266634 0.89 HTR7 (0.33) HTR7HCRTR1HCRTR2F2RL3ALDH1A1
SCHEMBL1266969 0.86 HRH3 (0.34) HTR7HRH3HCRTR1HCRTR2F2RL3
SCHEMBL1267317 0.86 DPP4 (0.37) HRH3HCRTR1HCRTR2CHRM3CSF1R
SCHEMBL3833958 0.85 P2RX3 (0.32)
SCHEMBL1267319 0.84 MAPK14 (0.32) HRH3MAPK14CSF1RALDH1A1KDM4E
SCHEMBL1266485 0.84 MAPK14 (0.32) HRH3MAPK14CSF1RALDH1A1KDM4E
SCHEMBL1265114 0.82 MAPT (0.34) HCRTR1HCRTR2MKNK1ALDH1A1HPGD

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 1515/4885HRH3 1577/4885HCRTR1 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 781/4885HRH3 1623/4885HCRTR1 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.