SCHEMBL1748713

SCHEMBL1748713

COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(C)c2cc1OCCN1CCCCC1C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.46
CDK9 P50750 12/20 0.37
CDC7 O00311 1/20 0.37
PIM1 P11309 1/20 0.37
CCNT1 O60563 10/20 0.36
GSK3B P49841 2/20 0.36
CDK7 P50613 2/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
JAK2 O60674 1/20 0.36
LCK P06239 1/20 0.36
GSK3A P49840 1/20 0.36
BTK Q06187 1/20 0.36
LRRK2 Q5S007 1/20 0.36
AURKB Q96GD4 1/20 0.36
HTR2C P28335 1/20 0.34
EHMT2 Q96KQ7 2/20 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
SCHEMBL5797459 0.95 IGF1R (0.42) IGF1RCDK9CDC7PIM1CCNT1
Pyridine SCHEMBL5795752 0.92 IGF1R (0.41) IGF1REHMT2NSD2AXLDNMT1
SCHEMBL5795300 0.87 IGF1R (0.47) IGF1RCDK9CDC7PIM1CCNT1
SCHEMBL4493773 0.83 IGF1R (0.46) IGF1RCDK9CCNT1GSK3BCDK7
SCHEMBL1748714 0.82 IGF1R (0.47) IGF1RCDK9CCNT1GSK3BCDK7
SCHEMBL1748700 0.81 IGF1R (0.53) IGF1RGSK3BCDK7JAK2LCK
SCHEMBL1748886 0.80 IGF1R (0.67) IGF1RCDK9CDC7PIM1CCNT1
SCHEMBL1748784 0.80 IGF1R (0.50) IGF1RCDK9CCNT1GSK3BCDK7
SCHEMBL1748734 0.80 EPHA2 (0.33) HTR2CAXLEPHA2KDREPHB4
SCHEMBL5797454 0.80 IGF1R (0.45) IGF1RCDK9CCNT1EHMT2AXL

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-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 claimed
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 claimed
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 IGF1R 817/4885CDK9 178/4885CDC7 504/4885
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 817/4885CDK9 178/4885CDC7 504/4885

“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.