SCHEMBL1749481

SCHEMBL1749481

COc1cc2c(-c3cc4c(C(Nc5ccc(N6CCOCC6)cc5)S(=O)(=O)c5ccc(C)cc5)ccnc4[nH]3)cn(C)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.43
TBK1 Q9UHD2 7/20 0.41
CCNT1 O60563 5/20 0.37
CDK9 P50750 5/20 0.37
MAPT P10636 4/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
CFTR P13569 1/20 0.35
PDE10A Q9Y233 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL1749203 0.94 IGF1R (0.44) IGF1RTBK1CCNT1CDK9MAPT
SCHEMBL2989858 0.91 TBK1 (0.40) IGF1RTBK1CCNT1CDK9MAPT
SCHEMBL1748803 0.88 IGF1R (0.51) IGF1RCCNT1CDK9
SCHEMBL1750569 0.84 IGF1R (0.44) IGF1RCCNT1CDK9
SCHEMBL5793403 0.84 IGF1R (0.47) IGF1RCCNT1CDK9
SCHEMBL2990034 0.81 TBK1 (0.38) IGF1RTBK1CCNT1CDK9
SCHEMBL1749066 0.81 IGF1R (0.46) IGF1RCCNT1CDK9
SCHEMBL2634042 0.80 IGF1R (0.53) IGF1RCCNT1CDK9
SCHEMBL1749209 0.79 IGF1R (0.49) IGF1RCCNT1CDK9
Trifluoroacetic Acid SCHEMBL1748806 0.78 IGF1R (0.42) IGF1RCCNT1CDK9

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 817/4885TBK1 322/4885CCNT1 534/4885
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 817/4885TBK1 322/4885CCNT1 534/4885

“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.