Sugi Predict

Sugi Predict / Compounds / SCHEMBL2996531

SCHEMBL2996531

SCHEMBL2996531

COc1cc2c(nc1OC)c(-c1cc3c(C(NC4CCN(C)CC4)S(=O)(=O)c4ccc(C)cc4)ccnc3[nH]1)cn2C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.38
▸ CCNT1 O60563 14/20 0.37
▸ CDK9 P50750 14/20 0.37
▸ KIT P10721 3/20 0.37
▸ CYP3A4 P08684 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL2990420 0.96 IGF1R (0.40) IGF1RCCNT1CDK9KIT
SCHEMBL2993246 0.94 IGF1R (0.36) IGF1RCCNT1CDK9KIT
SCHEMBL2991596 0.91 IGF1R (0.36) IGF1RCCNT1CDK9KIT
SCHEMBL2987049 0.91 CCNT1 (0.43) IGF1RCCNT1CDK9KIT
SCHEMBL1749066 0.90 IGF1R (0.46) IGF1RCCNT1CDK9KITCYP3A4
SCHEMBL2996058 0.90 IGF1R (0.37) IGF1RCCNT1CDK9KIT
SCHEMBL5540142 0.88 CCNT1 (0.36) IGF1RCCNT1CDK9
SCHEMBL2993805 0.87 CCNT1 (0.39) IGF1RCCNT1CDK9
SCHEMBL1748812 0.86 IGF1R (0.49) IGF1RCCNT1CDK9KIT
SCHEMBL2989661 0.85 IGF1R (0.34) IGF1RCCNT1CDK9KIT

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.