SCHEMBL2998043

SCHEMBL2998043

COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2CCN1CCC(CN)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 14/20 0.38
CCNT1 O60563 11/20 0.38
SUV39H2 Q9H5I1 4/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IGF1R P08069 1/20 0.35
CASP3 P42574 3/20 0.35
CASP7 P55210 3/20 0.35
CDK1 P06493 1/20 0.34
CDK2 P24941 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
SCHEMBL2988448 0.95 CDK9 (0.37) CDK9CCNT1SUV39H2IGF1RCASP3
SCHEMBL27714235 0.90 CDK9 (0.36) CDK9CCNT1SUV39H2MKNK2IGF1R
SCHEMBL2985824 0.89 IGF1R (0.38) CDK9CCNT1MKNK2IGF1RCASP3
SCHEMBL2989219 0.89 CDK9 (0.38) CDK9CCNT1CASP3CASP7
SCHEMBL2987587 0.88 CDK9 (0.45) CDK9CCNT1SUV39H2MKNK2CASP3
SCHEMBL2982628 0.87 CDK9 (0.38) CDK9CCNT1IGF1RCASP3CASP7
SCHEMBL2999030 0.86 CDK9 (0.42) CDK9CCNT1IGF1RCASP3CASP7
SCHEMBL2990078 0.84 CDK9 (0.38) CDK9CCNT1SUV39H2IGF1R
SCHEMBL2986599 0.83 HTR4 (0.34) CDK9CCNT1SUV39H2
SCHEMBL5541427 0.83 IGF1R (0.41) CDK9CCNT1IGF1RCASP3CASP7

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 10 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
CN-101052642-A Novel bis-azaindole derivatives, their preparation and their pharmaceutical use as kinase inhibitors AVENTIS PHARMA SA (FR) 2007-10-10 CN 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 327/4885SUV39H2 1845/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 CDK9 90/4885CCNT1 327/4885SUV39H2 1845/4885

“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.