SCHEMBL1748882

SCHEMBL1748882

COc1cc2c(-c3cc4c(CNC5CCN(C)CC5)ccnc4[nH]3)cn(C)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.54
GSK3B P49841 2/20 0.41
JAK2 O60674 1/20 0.41
LCK P06239 1/20 0.41
GSK3A P49840 1/20 0.41
CDK7 P50613 1/20 0.41
BTK Q06187 1/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKB Q96GD4 1/20 0.41
CCNT1 O60563 12/20 0.41
CDK9 P50750 12/20 0.41
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
DNMT1 P26358 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
CHEK1 O14757 1/20 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
SCHEMBL1748739 0.95 IGF1R (0.57) IGF1RGSK3BJAK2LCKGSK3A
SCHEMBL1749488 0.92 IGF1R (0.55) IGF1RGSK3BJAK2LCKGSK3A
SCHEMBL2995039 0.88 IGF1R (0.42) IGF1RGSK3BJAK2LCKGSK3A
SCHEMBL1749647 0.85 IGF1R (0.57) IGF1RGSK3BJAK2LCKGSK3A
SCHEMBL27688012 0.83 IGF1R (0.58) IGF1RGSK3BJAK2LCKGSK3A
SCHEMBL1749213 0.82 IGF1R (0.54) IGF1RGSK3BJAK2LCKGSK3A
SCHEMBL2986604 0.82 IGF1R (0.44) IGF1RGSK3BJAK2LCKGSK3A
SCHEMBL1748818 0.81 IGF1R (0.64) IGF1RGSK3BJAK2LCKGSK3A
SCHEMBL1749523 0.81 IGF1R (0.64) IGF1RGSK3BJAK2LCKGSK3A
SCHEMBL1749790 0.80 IGF1R (0.56) IGF1RGSK3BJAK2LCKGSK3A

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 817/4885GSK3B 536/4885JAK2 42/4885
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 817/4885GSK3B 536/4885JAK2 42/4885

“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.