SCHEMBL1749036

SCHEMBL1749036

COc1cc2c(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.43
IGF1R P08069 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CCKAR P32238 1/20 0.35
ENPP3 O14638 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1778785 0.92 IGF1R (0.50) PTGDR2IGF1RL3MBTL1CCNE1CDK2
SCHEMBL1779402 0.90 IGF1R (0.44) PTGDR2IGF1RL3MBTL1CCNE1CDK2
SCHEMBL1749053 0.90 IGF1R (0.44) PTGDR2IGF1RL3MBTL1CCNE1CDK2
SCHEMBL1749119 0.89 IGF1R (0.44) PTGDR2IGF1RL3MBTL1CCNE1CDK2
SCHEMBL1748900 0.89 PTGDR2 (0.41) PTGDR2IGF1RPSEN1PSEN2APH1B
SCHEMBL1748833 0.88 IGF1R (0.42) PTGDR2IGF1RL3MBTL1CCNE1CDK2
SCHEMBL1748634 0.88 IGF1R (0.44) PTGDR2IGF1RL3MBTL1CCNE1CDK2
SCHEMBL1749120 0.88 IGF1R (0.44) PTGDR2IGF1RL3MBTL1CCNE1CDK2
SCHEMBL1748899 0.88 IGF1R (0.44) PTGDR2IGF1RL3MBTL1CCNE1CDK2
SCHEMBL1749000 0.88 IGF1R (0.44) PTGDR2IGF1RL3MBTL1CCNE1CDK2

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 PTGDR2 806/4885IGF1R 817/4885PSEN1 3350/4885
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 817/4885PSEN1 3350/4885

“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.