SCHEMBL1749488

SCHEMBL1749488

COc1cc2c(-c3cc4c(CNC5CCCCC5)ccnc4[nH]3)cn(C)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.55
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
JAK2 O60674 1/20 0.42
LCK P06239 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK7 P50613 1/20 0.42
BTK Q06187 1/20 0.42
LRRK2 Q5S007 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CCNT1 O60563 10/20 0.39
CDK9 P50750 10/20 0.39
KCNH2 Q12809 1/20 0.38

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) IGF1RKDM4EMEN1KMT2AGAA
SCHEMBL1748882 0.92 IGF1R (0.54) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL27688012 0.83 IGF1R (0.58) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL2986604 0.82 IGF1R (0.44) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1749105 0.82 IGF1R (0.51) IGF1RKDM4EMEN1KMT2AJAK2
SCHEMBL1748818 0.82 IGF1R (0.64) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1749523 0.82 IGF1R (0.64) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1749213 0.81 IGF1R (0.54) IGF1RKDM4EJAK2LCKGSK3A
SCHEMBL1749790 0.81 IGF1R (0.56) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1749262 0.81 IGF1R (0.60) IGF1RMEN1KMT2AJAK2LCK

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-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
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 (1 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-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 817/4885KDM4E 981/4885MEN1 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.