SCHEMBL2986300

SCHEMBL2986300

COc1cc2c(nc1OC)c(-c1cc3c(CNCC4CCN(C(=O)OC(C)(C)C)CC4)ccnc3[nH]1)cn2C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 0.41
CDK9 P50750 8/20 0.41
SUV39H2 Q9H5I1 3/20 0.39
TBK1 Q9UHD2 4/20 0.39
KIT P10721 2/20 0.38
TGFBR1 P36897 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL2982715 0.91 CCNT1 (0.42) CCNT1CDK9SUV39H2TBK1CCNK
SCHEMBL2985929 0.91 IGF1R (0.38) CCNT1CDK9
SCHEMBL2990025 0.87 CCNT1 (0.45) CCNT1CDK9TBK1
Hydrochloric Acid SCHEMBL2990404 0.85 IGF1R (0.40) CCNT1CDK9
SCHEMBL5529651 0.84 CCNT1 (0.43) CCNT1CDK9SUV39H2
SCHEMBL2991812 0.82 TGFBR1 (0.38) CCNT1CDK9SUV39H2TGFBR1HTR6
SCHEMBL2991814 0.82 CCNT1 (0.42) CCNT1CDK9SUV39H2TBK1TGFBR1
SCHEMBL5538745 0.82 SUV39H2 (0.38) CCNT1CDK9SUV39H2
SCHEMBL2987134 0.82 CDK9 (0.39) CCNT1CDK9
SCHEMBL5531332 0.80 IGF1R (0.42) CCNT1CDK9

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 CCNT1 327/4885CDK9 90/4885SUV39H2 1845/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 CCNT1 327/4885CDK9 90/4885SUV39H2 1845/4885

“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.