SCHEMBL1748795

SCHEMBL1748795

COc1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(c2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)S(=O)(=O)c2ccc(C)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.40
IGF1R P08069 2/20 0.37
KIT P10721 6/20 0.35
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
BTK Q06187 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKB Q96GD4 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL1749212 0.89 IGF1R (0.39) NTRK1IGF1RKITJAK2LCK
SCHEMBL1748748 0.83 IGF1R (0.43) NTRK1IGF1RKITJAK2LCK
SCHEMBL1749283 0.82 IGF1R (0.42) NTRK1IGF1RJAK2LCKGSK3A
SCHEMBL1749226 0.80 IGF1R (0.45) NTRK1IGF1RJAK2LCKGSK3A
SCHEMBL1749333 0.79 IGF1R (0.45) NTRK1IGF1RKITJAK2LCK
SCHEMBL1749084 0.77 IGF1R (0.49) IGF1RKITJAK2LCKGSK3A
SCHEMBL1748797 0.77 TP53 (0.37) NTRK1DGAT2TP53MEN1KMT2A
SCHEMBL1749118 0.76 IGF1R (0.44) NTRK1IGF1RKITJAK2LCK
SCHEMBL1750569 0.74 IGF1R (0.44) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL2634042 0.74 IGF1R (0.53) IGF1RKITJAK2LCKGSK3A

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 NTRK1 642/4885IGF1R 817/4885KIT 478/4885
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 NTRK1 642/4885IGF1R 817/4885KIT 478/4885

“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.