SCHEMBL1748718

SCHEMBL1748718

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
IGF1R P08069 1/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.37
ALDH3A1 P30838 1/20 0.35
LMNA P02545 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
SCN9A Q15858 4/20 0.34
MET P08581 1/20 0.34
AXL P30530 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33

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
SCHEMBL1748775 0.93 PTGDR2 (0.37) PTGDR2IGF1RTP53PKMALDH3A1
SCHEMBL1749060 0.93 PTGDR2 (0.37) PTGDR2IGF1RTP53PKMALDH3A1
SCHEMBL1749146 0.93 PTGDR2 (0.36) PTGDR2IGF1RTP53PKMALDH3A1
SCHEMBL1749273 0.92 PTGDR2 (0.39) PTGDR2IGF1RTP53ALDH3A1PCSK9
SCHEMBL1749121 0.91 IGF1R (0.40) PTGDR2IGF1RTP53ALDH3A1LMNA
SCHEMBL1749150 0.89 IGF1R (0.39) PTGDR2IGF1RTP53PCSK9SCN9A
SCHEMBL1748509 0.89 TP53 (0.42) PTGDR2TP53PKMALDH3A1LMNA
SCHEMBL5806641 0.88 IGF1R (0.37) PTGDR2IGF1RTP53PKMLMNA
SCHEMBL1748824 0.88 IGF1R (0.39) PTGDR2IGF1RTP53PKMPCSK9
SCHEMBL1778388 0.88 JAK2 (0.41) PTGDR2IGF1RTP53SCN9AMAPT

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-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
CN-1950083-A Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA SA (FR) 2007-04-18 CN 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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 PTGDR2 806/4885IGF1R 817/4885TP53 966/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 PTGDR2 806/4885IGF1R 817/4885TP53 966/4885

“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.