SCHEMBL2997352

SCHEMBL2997352

COc1cc2c(nc1OC)c(-c1cc3c(Cl)c(F)cnc3[nH]1)cn2CCCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.40
CCNT1 O60563 4/20 0.40
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
EGFR P00533 5/20 0.38
ERBB2 P04626 2/20 0.37
GSK3B P49841 3/20 0.37
QPCT Q16769 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KIT P10721 3/20 0.36
KDR P35968 3/20 0.36
FLT4 P35916 2/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 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
SCHEMBL2988514 0.96 CDK9 (0.41) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL2988529 0.92 GSK3B (0.36) CDK9CCNT1EGFRGSK3BQPCT
SCHEMBL2985854 0.92 KDR (0.37) CDK9CCNT1EGFRERBB2GSK3B
SCHEMBL2992455 0.89 CCNT1 (0.39) CDK9CCNT1SRC
SCHEMBL2984459 0.89 KDR (0.36) CDK9CCNT1EGFRGSK3BQPCT
SCHEMBL2982546 0.89 CDK9 (0.35) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL2986599 0.88 HTR4 (0.34) CDK9CCNT1
SCHEMBL1749184 0.85 CDK9 (0.43) CDK9CCNT1CDK1CDK2CASP3
SCHEMBL27714257 0.84 IGF1R (0.34) CDK9CCNT1GSK3BKITKDR
SCHEMBL2987587 0.82 CDK9 (0.45) CDK9CCNT1CDK1CDK2CASP3

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 327/4885CDK1 14/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 CDK9 90/4885CCNT1 327/4885CDK1 14/4885

“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.