SCHEMBL1265818

SCHEMBL1265818

Cc1ccc(-n2c(=O)ccc3c(Br)c(C(=O)N4CC[C@@H](O)C4)sc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 2/20 0.36
DUSP3 P51452 2/20 0.36
MAPK1 P28482 1/20 0.36
PTPN7 P35236 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
HTR2C P28335 2/20 0.34
RAB9A P51151 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PDE7A Q13946 1/20 0.32
ADORA2B P29275 3/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL1265514 1.00 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL1267126 0.90 POLB (0.35) ALDH1A1RAB9AADORA2BATMADORA2A
SCHEMBL1266738 0.90 POLB (0.35) ALDH1A1RAB9AADORA2BATMADORA2A
SCHEMBL3118759 0.81 TYK2 (0.34) HTR2CRAB9AADORA2BADORA2ACYP3A4
SCHEMBL3114743 0.81 TYK2 (0.34) HTR2CRAB9AADORA2BADORA2ACYP3A4
SCHEMBL4562849 0.81 TYK2 (0.34) HTR2CRAB9AADORA2BADORA2ACYP3A4
SCHEMBL1266143 0.81 ADORA2B (0.36) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL1266545 0.80 NOTUM (0.34) ALDH1A1HPGDHSD17B10MAPTHTR2C
SCHEMBL1266692 0.80 NOTUM (0.34) ALDH1A1HPGDHSD17B10MAPTHTR2C
SCHEMBL1267007 0.78 MAP2K1 (0.38) ALDH1A1HTTADORA2BKMT2AADORA2A

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 ALDH1A1 4333/4885HPGD 840/4885ALOX15 2153/4885
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 ALDH1A1 2989/4885HPGD 741/4885ALOX15 2945/4885

“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.