SCHEMBL1748831

SCHEMBL1748831

COc1cc2c(-c3cc4cc(F)cnc4[nH]3)cn(CCN3CCOCC3)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.46
KDM4E B2RXH2 2/20 0.42
RCE1 Q9Y256 1/20 0.42
CDK9 P50750 7/20 0.42
CCNT1 O60563 6/20 0.42
MKNK2 Q9HBH9 1/20 0.41
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
MAP3K11 Q16584 2/20 0.39
KDR P35968 1/20 0.39
GSK3B P49841 1/20 0.39
KIT P10721 3/20 0.38
ULK1 O75385 1/20 0.38
MAPK1 P28482 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL1748716 0.92 IGF1R (0.46) IGF1RKDM4ERCE1CDK9CCNT1
SCHEMBL2991422 0.88 CDK9 (0.39) IGF1RKDM4ERCE1CDK9CCNT1
SCHEMBL1779928 0.85 IGF1R (0.66) IGF1RKDM4ERCE1CDK9CCNT1
SCHEMBL1749184 0.84 CDK9 (0.43) IGF1RKDM4ERCE1CDK9CCNT1
SCHEMBL1748861 0.81 IGF1R (0.67) IGF1RCDK9CCNT1KDRGSK3B
SCHEMBL5797776 0.79 KDM4E (0.44) KDM4ERCE1CDK9CCNT1MKNK2
SCHEMBL5796552 0.79 KDR (0.45) KDM4ERCE1CDK9CCNT1MKNK2
SCHEMBL1748609 0.79 CDK9 (0.47) IGF1RKDM4ERCE1CDK9CCNT1
SCHEMBL27668977 0.78 IGF1R (0.59) IGF1RKDM4ECDK9CCNT1MAPK1
SCHEMBL1749006 0.76 IGF1R (0.67) IGF1RMKNK2CDK1KDRGSK3B

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 817/4885KDM4E 981/4885RCE1 1058/4885
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 817/4885KDM4E 981/4885RCE1 1058/4885

“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.