SCHEMBL2995039

SCHEMBL2995039

COc1cc2c(nc1OC)c(-c1cc3c(CNC4CCN(C)CC4)ccnc3[nH]1)cn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.42
CCNT1 O60563 11/20 0.38
CDK9 P50750 11/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36
CHEK1 O14757 1/20 0.36
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
BTK Q06187 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKB Q96GD4 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KCNH2 Q12809 2/20 0.34
DYRK3 O43781 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
SCHEMBL2986604 0.95 IGF1R (0.44) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL5533445 0.92 IGF1R (0.42) IGF1RCCNT1CDK9CASP3CASP7
Hydrochloric Acid SCHEMBL2989485 0.91 IGF1R (0.41) IGF1RCCNT1CDK9CASP3CASP7
SCHEMBL5535776 0.91 IGF1R (0.41) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL2987134 0.91 CDK9 (0.39) IGF1RCCNT1CDK9
Hydrochloric Acid SCHEMBL2984613 0.91 IGF1R (0.41) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL5532887 0.90 IGF1R (0.43) IGF1RCCNT1CDK9JAK2LCK
Hydrochloric Acid SCHEMBL2985657 0.89 IGF1R (0.42) IGF1RCCNT1CDK9JAK2LCK
SCHEMBL2993969 0.88 IGF1R (0.39) IGF1RCCNT1CDK9CASP3CASP7
SCHEMBL2982715 0.88 CCNT1 (0.42) CCNT1CDK9EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IGF1R 606/4885CCNT1 327/4885CDK9 90/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 IGF1R 606/4885CCNT1 327/4885CDK9 90/4885

“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.