SCHEMBL1749068

SCHEMBL1749068

COc1cc2c(-c3cc4cc(F)cnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCI)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 5/20 0.38
ALOX12 P18054 3/20 0.38
NTSR1 P30989 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 5/20 0.33
LMNA P02545 3/20 0.33
TLR9 Q9NR96 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.32
ALDH3A1 P30838 1/20 0.32
CYP3A4 P08684 1/20 0.32
GPR55 Q9Y2T6 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
SCHEMBL1748910 0.92 TP53 (0.41) TP53KDM4EALDH1A1KMT2AALOX12
SCHEMBL2991201 0.90 PIM1 (0.35) TP53KDM4EALDH1A1KMT2AALOX12
SCHEMBL1748616 0.88 TP53 (0.39) TP53KDM4EALDH1A1KMT2AALOX12
SCHEMBL1748859 0.88 KIT (0.39) TP53KDM4EALDH1A1KMT2AALOX12
SCHEMBL1748581 0.87 TP53 (0.42) TP53KDM4EALDH1A1KMT2AALOX12
SCHEMBL1748854 0.85 TP53 (0.40) TP53KDM4EALDH1A1KMT2AALOX12
SCHEMBL1748761 0.83 TP53 (0.42) TP53PTGDR2
SCHEMBL5794974 0.82 TP53 (0.47) TP53KDM4EALDH1A1KMT2AALOX12
SCHEMBL2986526 0.82 PIM1 (0.35) TP53KDM4EALDH1A1KMT2AALOX12
SCHEMBL5796350 0.81 TP53 (0.45) TP53KDM4EALDH1A1KMT2AALOX12

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 TP53 966/4885KDM4E 981/4885ALDH1A1 3780/4885
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 966/4885KDM4E 981/4885ALDH1A1 3780/4885

“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.