SCHEMBL1267007

SCHEMBL1267007

Cc1ccc(-n2c(=O)ccc3c(Nc4ccc(F)cc4F)c(C(=O)N4CC[C@H](O)C4)sc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.38
KCNH2 Q12809 1/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
MAP2K2 P36507 1/20 0.34
HTT P42858 1/20 0.34
SLC16A1 P53985 1/20 0.34
CCR1 P32246 1/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
ADORA2A P29274 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
HTR7 P34969 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 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
SCHEMBL1266728 1.00 MAP2K1 (0.38) MAP2K1KCNH2CXCR1CXCR2MAP2K2
SCHEMBL1267450 0.95 MAP2K1 (0.38) MAP2K1KCNH2CXCR1CXCR2MAP2K2
SCHEMBL1265858 0.95 MAP2K1 (0.38) MAP2K1KCNH2CXCR1CXCR2MAP2K2
SCHEMBL1266914 0.92 CXCR1 (0.39) MAP2K1KCNH2CXCR1CXCR2MAP2K2
SCHEMBL1266312 0.92 CXCR1 (0.39) MAP2K1KCNH2CXCR1CXCR2MAP2K2
SCHEMBL1267221 0.87 ALDH1A1 (0.37) MAP2K1CXCR1CXCR2MAP2K2HTR7
SCHEMBL1266526 0.87 ALDH1A1 (0.41) KCNH2CXCR1CXCR2SMN1; SMN2LMNA
SCHEMBL1265512 0.86 PDE7A (0.35) MAP2K1CXCR1CXCR2PDGFRBKDR
SCHEMBL1267409 0.86 PDE7A (0.35) MAP2K1CXCR1CXCR2PDGFRBKDR
SCHEMBL1266269 0.85 MAP2K1 (0.40) MAP2K1CXCR2MAP2K2ADORA2BSMN1; SMN2

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 MAP2K1 64/4885KCNH2 4040/4885CXCR1 1737/4885
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 MAP2K1 50/4885KCNH2 2084/4885CXCR1 1291/4885

“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.