SCHEMBL1748692

SCHEMBL1748692

COc1cc2c(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCCO)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.42
PRKCB P05771 3/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.39
IGF1R P08069 1/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
PRKCA P17252 1/20 0.36
IDH1 O75874 1/20 0.36
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
QPCT Q16769 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL1749045 0.95 TP53 (0.42) GSK3BPRKCBTP53L3MBTL1PTGDR2
SCHEMBL1748761 0.93 TP53 (0.42) GSK3BPRKCBTP53L3MBTL1PTGDR2
SCHEMBL1748894 0.93 TP53 (0.42) GSK3BPRKCBTP53L3MBTL1PTGDR2
SCHEMBL1748951 0.92 TP53 (0.41) GSK3BPRKCBTP53L3MBTL1PTGDR2
SCHEMBL5819132 0.92 HPGD (0.38) GSK3BPRKCBTP53L3MBTL1PTGDR2
SCHEMBL27687962 0.91 PTGDR2 (0.43) TP53L3MBTL1PTGDR2IGF1RCCNE1
SCHEMBL1749221 0.91 TP53 (0.43) GSK3BTP53L3MBTL1PTGDR2IGF1R
SCHEMBL1748581 0.90 TP53 (0.42) TP53L3MBTL1PTGDR2IGF1RCCNE1
SCHEMBL1748835 0.90 TP53 (0.42) TP53L3MBTL1PTGDR2IGF1RCCNE1
SCHEMBL5824105 0.89 PTGDR2 (0.44) TP53L3MBTL1PTGDR2IGF1RCCNE1

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 6 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
EP-1732546-A2 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) 2006-12-20 EP disclosed
WO-2005095399-A2 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) 2005-10-13 WO 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 GSK3B 536/4885PRKCB 38/4885TP53 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 GSK3B 536/4885PRKCB 38/4885TP53 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.