SCHEMBL1266937

SCHEMBL1266937

Cc1cc(Nc2c(C(=O)N3CC[C@H](O)C3)sc3c2ccc(=O)n3-c2ccccc2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
PDE7A Q13946 3/20 0.34
MYC P01106 2/20 0.34
WDR5 P61964 2/20 0.34
TYK2 P29597 1/20 0.34
KCNJ6 P48051 2/20 0.33
KCNJ5 P48544 2/20 0.33
KCNJ3 P48549 2/20 0.33
MAP2K1 Q02750 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA2A P29274 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL3837191 1.00 CXCR1 (0.36) CXCR1CXCR2OPRK1ALDH1A1USP2
SCHEMBL1265696 1.00 CXCR1 (0.36) CXCR1CXCR2OPRK1ALDH1A1USP2
SCHEMBL1265512 0.94 PDE7A (0.35) CXCR1CXCR2ALDH1A1USP2MAPT
SCHEMBL1267409 0.94 PDE7A (0.35) CXCR1CXCR2ALDH1A1USP2MAPT
SCHEMBL1266794 0.94 ALDH1A1 (0.37) CXCR1CXCR2ALDH1A1USP2MAPT
SCHEMBL1267284 0.94 ADORA2B (0.35) CXCR2OPRK1ALDH1A1USP2MAPT
SCHEMBL1265999 0.91 BTK (0.35) ALDH1A1USP2MAPTKCNJ6KCNJ5
SCHEMBL1266466 0.91 BTK (0.35) ALDH1A1USP2MAPTKCNJ6KCNJ5
SCHEMBL3830940 0.91 ALDH1A1 (0.37) ALDH1A1USP2MAPTLMNA
SCHEMBL1266952 0.90 MET (0.39) ALDH1A1USP2MAPTKDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 US claimed
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 claimed
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 CXCR1 1737/4885CXCR2 1014/4885OPRK1 719/4885
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 CXCR1 1291/4885CXCR2 947/4885OPRK1 1328/4885

“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.