SCHEMBL1748854

SCHEMBL1748854

COc1cc2c(-c3cc4c(Cl)c(F)cnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCI)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
NTSR1 P30989 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALOX12 P18054 2/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
BRD4 O60885 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.31
ALDH3A1 P30838 1/20 0.31
PKM P14618 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
SCHEMBL1748601 0.93 TP53 (0.41) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL2993710 0.91 PIM1 (0.35) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL1748871 0.88 KIT (0.40) TP53KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL2989166 0.87 PIM1 (0.35) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL1749161 0.86 TP53 (0.42) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL1749068 0.85 TP53 (0.41) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL2991242 0.84 PIM1 (0.35) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL5796350 0.83 TP53 (0.45) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL2988487 0.83 PIM1 (0.35) TP53KDM4EALDH1A1KMT2AMEN1
SCHEMBL2995374 0.80 PIM1 (0.34) KDM4EALDH1A1KMT2AMEN1NTSR1

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 5 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

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.