SCHEMBL2987134

SCHEMBL2987134

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 17/20 0.39
CCNT1 O60563 16/20 0.39
IGF1R P08069 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TACR1 P25103 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
SCHEMBL2992501 0.93 IGF1R (0.40) CDK9CCNT1IGF1R
SCHEMBL2995039 0.91 IGF1R (0.42) CDK9CCNT1IGF1R
SCHEMBL2982715 0.91 CCNT1 (0.42) CDK9CCNT1
SCHEMBL2986604 0.91 IGF1R (0.44) CDK9CCNT1IGF1R
SCHEMBL2985929 0.91 IGF1R (0.38) CDK9CCNT1IGF1R
SCHEMBL2993969 0.90 IGF1R (0.39) CDK9CCNT1IGF1R
SCHEMBL5533445 0.88 IGF1R (0.42) CDK9CCNT1IGF1R
Hydrochloric Acid SCHEMBL2989485 0.87 IGF1R (0.41) CDK9CCNT1IGF1R
SCHEMBL5535776 0.87 IGF1R (0.41) CDK9CCNT1IGF1R
Hydrochloric Acid SCHEMBL2984613 0.86 IGF1R (0.41) CDK9CCNT1IGF1R

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

“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.