SCHEMBL2991422

SCHEMBL2991422

COc1cc2c(nc1OC)c(-c1cc3cc(F)cnc3[nH]1)cn2CCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 8/20 0.39
CCNT1 O60563 7/20 0.39
MKNK2 Q9HBH9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RCE1 Q9Y256 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
ULK1 O75385 1/20 0.37
MAP3K11 Q16584 2/20 0.36
FGFR4 P22455 1/20 0.36
KDR P35968 1/20 0.36
GSK3B P49841 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
IGF1R P08069 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1748831 0.88 IGF1R (0.46) CDK9CCNT1MKNK2KDM4ERCE1
SCHEMBL2988514 0.86 CDK9 (0.41) CDK9CCNT1MKNK2KDM4ERCE1
SCHEMBL2985765 0.85 IGF1R (0.52) CDK9CCNT1MKNK2KDM4ERCE1
SCHEMBL9987599 0.83 PIK3CA (0.33) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL2997352 0.82 CDK9 (0.40) CDK9CCNT1MKNK2KDM4ECDK1
SCHEMBL1748716 0.80 IGF1R (0.46) CDK9CCNT1KDM4ERCE1KDR
SCHEMBL2987587 0.80 CDK9 (0.45) CDK9CCNT1MKNK2KDM4ERCE1
SCHEMBL2982546 0.78 CDK9 (0.35) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL2985960 0.77 IGF1R (0.52) MKNK2CDK1KDRGSK3BIGF1R
SCHEMBL1749184 0.74 CDK9 (0.43) CDK9CCNT1MKNK2KDM4ERCE1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP claimed
US-7786114-B2 Bis-azaindole derivatives, preparation and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-08-31 US claimed
US-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-02-21 US claimed
EP-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP disclosed
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2010-10-07 US disclosed
US-7786114-B2 Bis-azaindole derivatives, preparation and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-08-31 US disclosed
US-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-02-21 US disclosed
EP-1799691-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-06-27 EP disclosed
WO-2006037875-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-04-13 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 (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-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors BRSK2, KSR2, CDK2 CDK9 90/4885CCNT1 327/4885MKNK2 143/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 CDK9 90/4885CCNT1 327/4885MKNK2 143/4885

“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.