SCHEMBL1267409

SCHEMBL1267409

Cc1ccc(-n2c(=O)ccc3c(Nc4ccc(F)c(C)c4)c(C(=O)N4CC[C@@H](O)C4)sc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
MAP2K1 Q02750 1/20 0.33
RAB9A P51151 2/20 0.33
KDR P35968 3/20 0.33
PDGFRB P09619 1/20 0.33
TYK2 P29597 1/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
GFER P55789 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 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
SCHEMBL1265512 1.00 PDE7A (0.35) PDE7AALDH1A1MAPTUSP2CXCR1
SCHEMBL1266794 0.95 ALDH1A1 (0.37) PDE7AALDH1A1MAPTUSP2CXCR1
SCHEMBL3837191 0.94 CXCR1 (0.36) PDE7AALDH1A1MAPTUSP2CXCR1
SCHEMBL1265696 0.94 CXCR1 (0.36) PDE7AALDH1A1MAPTUSP2CXCR1
SCHEMBL1266937 0.94 CXCR1 (0.36) PDE7AALDH1A1MAPTUSP2CXCR1
SCHEMBL1267284 0.87 ADORA2B (0.35) ALDH1A1MAPTUSP2CXCR2MAP2K1
SCHEMBL1266556 0.86 CHRNA7 (0.35) PDE7AALDH1A1MAPTUSP2CXCR1
SCHEMBL1266728 0.86 MAP2K1 (0.38) ALDH1A1CXCR1CXCR2MAP2K1KDR
SCHEMBL1267007 0.86 MAP2K1 (0.38) ALDH1A1CXCR1CXCR2MAP2K1KDR
SCHEMBL1265999 0.85 BTK (0.35) ALDH1A1MAPTUSP2RAB9AGFER

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 PDE7A 574/4885ALDH1A1 4333/4885MAPT 2018/4885
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 PDE7A 592/4885ALDH1A1 2989/4885MAPT 148/4885

“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.