SCHEMBL2990280

SCHEMBL2990280

COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2CCCN1CCCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.39
KDR P35968 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 12/20 0.36
CCNT1 O60563 11/20 0.36
SRC P12931 1/20 0.36
IGF1R P08069 1/20 0.35
CDC7 O00311 1/20 0.35
PIM1 P11309 1/20 0.35
PGK1 P00558 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
SCHEMBL2990078 0.94 CDK9 (0.38) GSK3BCDK9CCNT1IGF1RCDC7
SCHEMBL2985824 0.92 IGF1R (0.38) GSK3BCDK9CCNT1IGF1RCDC7
SCHEMBL2999030 0.88 CDK9 (0.42) CDK9CCNT1SRCIGF1RCDC7
SCHEMBL2984459 0.87 KDR (0.36) HRH4KDRGSK3BCDK9CCNT1
SCHEMBL2988448 0.86 CDK9 (0.37) CDK9CCNT1IGF1RCDC7PIM1
SCHEMBL2982628 0.85 CDK9 (0.38) CDK9CCNT1IGF1R
SCHEMBL2987587 0.85 CDK9 (0.45) KDRGSK3BCDK9CCNT1
SCHEMBL2985854 0.83 KDR (0.37) KDRGSK3BCDK9CCNT1SRC
SCHEMBL5534958 0.83 HRH4 (0.36) HRH4CDK9CCNT1SRCCDC7
SCHEMBL5541427 0.83 IGF1R (0.41) GSK3BCDK9CCNT1IGF1RCDC7

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 HRH4 861/4885KDR 637/4885GSK3B 438/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 HRH4 861/4885KDR 637/4885GSK3B 438/4885

“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.