SCHEMBL2991185

SCHEMBL2991185

COc1cc2c(nc1OC)c(-c1cc3c(C(C4=CC(N5CCOCC5)=CCC4=N)S(=O)(=O)c4ccc(C)cc4)ccnc3[nH]1)cn2C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.36
IGF1R P08069 1/20 0.34
CCNT1 O60563 11/20 0.34
CDK9 P50750 11/20 0.34
BRD4 O60885 1/20 0.31

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
SCHEMBL1749252 0.85 IGF1R (0.42) IGF1RCCNT1CDK9
SCHEMBL2989858 0.84 TBK1 (0.40) TBK1IGF1RCCNT1CDK9
SCHEMBL2990034 0.82 TBK1 (0.38) TBK1IGF1RCCNT1CDK9
SCHEMBL2990420 0.78 IGF1R (0.40) IGF1RCCNT1CDK9
SCHEMBL2996531 0.77 IGF1R (0.38) IGF1RCCNT1CDK9
SCHEMBL2993260 0.76 ALK (0.36) TBK1IGF1RCCNT1CDK9
SCHEMBL2994861 0.76 IGF1R (0.39) IGF1RCCNT1CDK9
SCHEMBL2996058 0.75 IGF1R (0.37) IGF1RCCNT1CDK9
SCHEMBL2997603 0.75 IGF1R (0.36) IGF1RCCNT1CDK9
SCHEMBL2988305 0.75 CCNT1 (0.36) IGF1RCCNT1CDK9

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 3 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

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 TBK1 632/4885IGF1R 606/4885CCNT1 327/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 TBK1 632/4885IGF1R 606/4885CCNT1 327/4885

“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.