SCHEMBL1749161

SCHEMBL1749161

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCI)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
NTSR1 P30989 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.34
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH3A1 P30838 1/20 0.33
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
LMNA P02545 1/20 0.32
EED O75530 1/20 0.31

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
SCHEMBL1748509 0.92 TP53 (0.42) TP53PTGDR2KDM4EMEN1ALDH1A1
SCHEMBL2990271 0.90 PTGDR2 (0.36) TP53PTGDR2ALDH1A1PKMBRD4
SCHEMBL1748689 0.88 TP53 (0.39) TP53PTGDR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1748718 0.88 PTGDR2 (0.39) TP53PTGDR2KDM4EALDH1A1NPSR1
SCHEMBL1749146 0.88 PTGDR2 (0.36) TP53PTGDR2PKMBRD4ALDH3A1
SCHEMBL1748698 0.87 TP53 (0.39) TP53PTGDR2KDM4EALDH1A1KMT2A
SCHEMBL1748854 0.86 TP53 (0.40) TP53PTGDR2KDM4EMEN1ALDH1A1
SCHEMBL2992606 0.86 PTGDR2 (0.35) TP53PTGDR2PKMBRD4ALDH3A1
SCHEMBL1748581 0.86 TP53 (0.42) TP53PTGDR2KDM4EMEN1ALDH1A1
SCHEMBL1748699 0.84 TP53 (0.36) TP53PTGDR2SMN1; SMN2EPHA2KDR

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 7 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
CN-1950083-A Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA SA (FR) 2007-04-18 CN 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 TP53 966/4885PTGDR2 806/4885KDM4E 981/4885
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 TP53 966/4885PTGDR2 806/4885KDM4E 981/4885

“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.