SCHEMBL1749496

SCHEMBL1749496

COc1cc2c(-c3cc4cccnc4[nH]3)cn(CC(=O)O)c2cc1OCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.62
RIPK1 Q13546 9/20 0.45
SYK P43405 1/20 0.44
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CCNT1 O60563 5/20 0.38
CDK9 P50750 5/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MPO P05164 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
SCHEMBL1748741 0.95 IGF1R (0.68) IGF1RRIPK1SYKCCNB2CDK1
SCHEMBL1749103 0.89 IGF1R (0.80) IGF1RRIPK1SYKCCNB2CDK1
SCHEMBL1748623 0.86 IGF1R (0.68) IGF1RRIPK1SYKCCNB2CDK1
SCHEMBL1777665 0.83 IGF1R (0.53) IGF1RRIPK1SYKCCNB2CDK1
SCHEMBL1749243 0.82 IGF1R (0.74) IGF1RRIPK1SYKCCNB2CDK1
SCHEMBL27688037 0.82 IGF1R (0.73) IGF1RRIPK1SYKCCNB2CDK1
SCHEMBL1778705 0.81 IGF1R (0.58) IGF1RRIPK1SYKCCNT1CDK9
SCHEMBL1748652 0.81 IGF1R (0.71) IGF1RRIPK1SYKCCNB2CDK1
SCHEMBL1748763 0.80 IGF1R (0.58) IGF1RRIPK1SYKCCNT1CDK9
SCHEMBL27687974 0.80 IGF1R (0.74) IGF1RRIPK1SYKCCNB2CDK1

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 4 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

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 817/4885RIPK1 392/4885SYK 379/4885
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 817/4885RIPK1 392/4885SYK 379/4885

“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.