SCHEMBL1750116

SCHEMBL1750116

COc1cc2c(-c3cc4c(CNc5ccnn5C)ccnc4[nH]3)cn(C)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.56
GSK3A P49840 4/20 0.43
GSK3B P49841 4/20 0.43
LCK P06239 3/20 0.43
CDK7 P50613 3/20 0.43
LRRK2 Q5S007 3/20 0.43
AURKB Q96GD4 3/20 0.43
JAK2 O60674 2/20 0.43
BTK Q06187 1/20 0.43
CDK9 P50750 13/20 0.36
TBK1 Q9UHD2 4/20 0.36
MAPK8 P45983 3/20 0.36
CDK5 Q00535 3/20 0.36
AURKA O14965 2/20 0.36
PAK4 O96013 2/20 0.36
ABL1 P00519 2/20 0.36
NTRK1 P04629 2/20 0.36
FYN P06241 2/20 0.36
CSF1R P07333 2/20 0.36
RET P07949 2/20 0.36

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
SCHEMBL1749262 0.85 IGF1R (0.60) IGF1RGSK3AGSK3BLCKCDK7
SCHEMBL1748818 0.83 IGF1R (0.64) IGF1RGSK3AGSK3BLCKCDK7
SCHEMBL1749523 0.83 IGF1R (0.64) IGF1RGSK3AGSK3BLCKCDK7
SCHEMBL1749377 0.81 IGF1R (0.57) IGF1RGSK3AGSK3BLCKCDK7
SCHEMBL1748739 0.81 IGF1R (0.57) IGF1RGSK3AGSK3BLCKCDK7
SCHEMBL1748950 0.81 IGF1R (0.59) IGF1RGSK3AGSK3BLCKCDK7
SCHEMBL1749106 0.81 IGF1R (0.50) IGF1RJAK2CDK9TBK1CCNT1
SCHEMBL27688012 0.80 IGF1R (0.58) IGF1RGSK3AGSK3BLCKCDK7
SCHEMBL1748735 0.80 IGF1R (0.56) IGF1RGSK3AGSK3BLCKCDK7
SCHEMBL1749318 0.80 IGF1R (0.55) IGF1RGSK3AGSK3BLCKCDK7

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 IGF1R 817/4885GSK3A 623/4885GSK3B 536/4885
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 IGF1R 817/4885GSK3A 623/4885GSK3B 536/4885

“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.