SCHEMBL1265699

SCHEMBL1265699

Cc1ccc(-n2c(=O)ccc3c(Nc4ccc(F)cc4F)c(C(=O)N4CCC[C@@H]4COC4CCCCO4)sc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.32
CHRM3 P20309 4/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MAP2K1 Q02750 2/20 0.31
MAPK14 Q16539 1/20 0.30
CSF1R P07333 1/20 0.30
HCRTR2 O43614 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HCRTR1 O43613 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) HTR7CHRM3MKNK1MAP2K1MAPK14
SCHEMBL1265873 0.93 HCRTR1 (0.35) CHRM3MKNK1HCRTR2ALDH1A1HCRTR1
SCHEMBL3833958 0.89 P2RX3 (0.32)
SCHEMBL1266634 0.88 HTR7 (0.33) HTR7HCRTR2ALDH1A1HCRTR1
SCHEMBL1265809 0.87 MAPK14 (0.33) HTR7CHRM3MKNK1MAPK14HCRTR2
SCHEMBL1266187 0.87 RAB9A (0.37) CSF1RHCRTR2HCRTR1
SCHEMBL1265114 0.87 MAPT (0.34) MKNK1HCRTR2ALDH1A1HPGDHCRTR1
SCHEMBL1267229 0.84 FFAR1 (0.32)
SCHEMBL1266782 0.83 MAPT (0.38) HCRTR2ALDH1A1HPGDHCRTR1
SCHEMBL1266969 0.82 HRH3 (0.34) HTR7HCRTR2HCRTR1

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 1515/4885CHRM3 2882/4885MKNK1 35/4885
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 781/4885CHRM3 3675/4885MKNK1 70/4885

“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.