SCHEMBL1749482

SCHEMBL1749482

COc1cc2c(-c3cc4c(CNc5ccc(N6CCOCC6)cc5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
GAA P10253 4/20 0.42
MEN1 O00255 4/20 0.42
ALOX12 P18054 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 4/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CFTR P13569 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
TP53 P04637 1/20 0.35
PDE10A Q9Y233 1/20 0.34
LCK P06239 2/20 0.34
AIMP2 Q13155 1/20 0.34

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
SCHEMBL1749204 0.94 L3MBTL1 (0.40) KMT2AGAAMEN1ALOX12NPC1
SCHEMBL2989856 0.91 GAA (0.38) KMT2AGAAMEN1ALOX12RAB9A
SCHEMBL1748804 0.88 IGF1R (0.39) ALOX12MAPTALDH1A1TP53
SCHEMBL1750570 0.84 IGF1R (0.34) ALOX12MAPTTP53
SCHEMBL5793402 0.84 IGF1R (0.36) ALDH1A1TP53
SCHEMBL2990032 0.82 TP53 (0.35) KMT2AGAARAB9ANPC1L3MBTL1
SCHEMBL1748813 0.82 IGF1R (0.37) RAB9AALDH1A1TP53
SCHEMBL1749361 0.81 HTR6 (0.47)
SCHEMBL1749067 0.81 GSK3B (0.38) KMT2AMEN1ALDH1A1TP53
SCHEMBL1749257 0.81 IGF1R (0.39) KMT2AMEN1MAPTALDH1A1TP53

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 4 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

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 KMT2A 1929/4885GAA 3869/4885MEN1 2982/4885
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 KMT2A 1929/4885GAA 3869/4885MEN1 2982/4885

“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.