SCHEMBL1267375

SCHEMBL1267375

O=C(c1sc2c(ccc(=O)n2-c2ccccc2)c1Br)N1CCC[C@@H]1COC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
SCD5 Q86SK9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KCNK3 O14649 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
SCHEMBL1266969 0.92 HRH3 (0.34) HRH3HCRTR1HCRTR2
SCHEMBL1267229 0.92 FFAR1 (0.32)
SCHEMBL1266906 0.89 HRH3 (0.35) HRH3HCRTR2HSD17B10
SCHEMBL3107145 0.88 RAB9A (0.33) HRH3HCRTR1HCRTR2
SCHEMBL3110901 0.88 RAB9A (0.33) HRH3HCRTR1HCRTR2
SCHEMBL1266782 0.83 MAPT (0.38) KMT2AHCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL1267018 0.83 HRH3 (0.34) HRH3ALDH1A1POLBHPGD
SCHEMBL1265873 0.83 HCRTR1 (0.35) HRH3HCRTR1HCRTR2ALDH1A1KCNK3
SCHEMBL1267138 0.83 HRH3 (0.39) HRH3MEN1KMT2ASCD5POLB
SCHEMBL1266599 0.81 ALDH1A1 (0.31) ALDH1A1POLBHPGDHSD17B10

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 1577/4885MEN1 4806/4885KMT2A 3402/4885
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 1623/4885MEN1 4147/4885KMT2A 1655/4885

“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.