SCHEMBL1748900

SCHEMBL1748900

COC(=O)Cn1cc(-c2cc3cccnc3n2S(=O)(=O)c2ccc(C)cc2)c2cc(OC)c(OCC(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
TP53 P04637 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
ENPP3 O14638 1/20 0.35
IGF1R P08069 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
SCHEMBL1748653 0.91 PTGDR2 (0.45) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1749139 0.89 PTGDR2 (0.38) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1749036 0.89 PTGDR2 (0.43) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1749153 0.87 PTGDR2 (0.39) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1748914 0.87 TP53 (0.40) PTGDR2TP53RXFP1CCNE1CDK2
SCHEMBL5824105 0.86 PTGDR2 (0.44) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL27687962 0.85 PTGDR2 (0.43) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1749045 0.84 TP53 (0.42) PTGDR2TP53CCNE1CDK2L3MBTL1
SCHEMBL1749221 0.83 TP53 (0.43) PTGDR2TP53CCNE1CDK2L3MBTL1
SCHEMBL1748692 0.82 GSK3B (0.42) PTGDR2TP53CCNE1CDK2L3MBTL1

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 4 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

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 806/4885PSEN1 3350/4885PSEN2 2507/4885
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 806/4885PSEN1 3350/4885PSEN2 2507/4885

“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.