SCHEMBL1748729

SCHEMBL1748729

COc1cc2[nH]cc(-c3cc4c(C5OCCO5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)c2cc1OC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 2/20 0.33
EPHA2 P29317 1/20 0.33
EPHB4 P54760 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAP4K1 Q92918 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.31
EGFR P00533 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MAPK7 Q13164 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MET P08581 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL2989647 0.88 MKNK1 (0.31) MEN1KMT2APTGDR2MKNK1
SCHEMBL1749526 0.85 EGFR (0.37) MEN1KMT2AKDRMAP4K1PTGDR2
SCHEMBL1748670 0.85 IGF1R (0.35) MEN1KMT2AKDREPHA2EPHB4
SCHEMBL1748604 0.84 PTGDR2 (0.39) KDREPHA2EPHB4MAP4K1PTGDR2
SCHEMBL1748508 0.80 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1PTGDR2EGFR
SCHEMBL2995251 0.78 PIM1 (0.31) MEN1KMT2APTGDR2
SCHEMBL1748944 0.77 CTSV (0.40) PTGDR2HPGDSMN1; SMN2MAPT
SCHEMBL1777861 0.77 MAPT (0.48) MEN1KMT2AKDRPTGDR2MKNK1
SCHEMBL5794640 0.77 MAPT (0.35) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL1749011 0.77 EGFR (0.40) KDRMAP4K1PTGDR2EGFRMAPT

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 MEN1 2982/4885KMT2A 1929/4885KDR 513/4885
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 MEN1 2982/4885KMT2A 1929/4885KDR 513/4885

“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.