SCHEMBL1748899

SCHEMBL1748899

COc1cc2c(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCCI

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.36
TP53 P04637 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ENPP3 O14638 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
SCHEMBL1749000 0.97 IGF1R (0.44) IGF1RL3MBTL1CCNE1CDK2PTGDR2
SCHEMBL1749119 0.93 IGF1R (0.44) IGF1RL3MBTL1CCNE1CDK2PTGDR2
SCHEMBL1778785 0.93 IGF1R (0.50) IGF1RL3MBTL1CCNE1CDK2PTGDR2
SCHEMBL1749120 0.92 IGF1R (0.44) IGF1RL3MBTL1CCNE1CDK2PTGDR2
SCHEMBL1748634 0.92 IGF1R (0.44) IGF1RL3MBTL1CCNE1CDK2PTGDR2
SCHEMBL1749102 0.90 IGF1R (0.42) IGF1RL3MBTL1CCNE1CDK2PTGDR2
SCHEMBL1748833 0.89 IGF1R (0.42) IGF1RL3MBTL1CCNE1CDK2PTGDR2
SCHEMBL1749053 0.89 IGF1R (0.44) IGF1RL3MBTL1CCNE1CDK2PTGDR2
SCHEMBL1779402 0.89 IGF1R (0.44) IGF1RL3MBTL1CCNE1CDK2PTGDR2
SCHEMBL1748761 0.89 TP53 (0.42) IGF1RL3MBTL1CCNE1CDK2PTGDR2

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 IGF1R 817/4885L3MBTL1 4601/4885CCNE1 494/4885
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 IGF1R 817/4885L3MBTL1 4601/4885CCNE1 494/4885

“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.