SCHEMBL2989221

SCHEMBL2989221

CCN(CC)CCCn1cc(-c2cc3c(Cl)ccnc3[nH]2)c2nc(OC)c(OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NSD2 O96028 1/20 0.34
GSK3B P49841 2/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PRKCA P17252 1/20 0.33
EGFR P00533 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
CDK9 P50750 7/20 0.32
CCNT1 O60563 6/20 0.32
CDC7 O00311 1/20 0.32
PIM1 P11309 1/20 0.32
KIT P10721 1/20 0.31
KDR P35968 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
SCHEMBL2985873 0.95 IGF1R (0.38) IGF1RALDH1A1KDM4EGSK3BCLK1
SCHEMBL5541427 0.86 IGF1R (0.41) IGF1RGSK3BCDK9CCNT1CDC7
SCHEMBL2990078 0.84 CDK9 (0.38) IGF1RGSK3BEGFRTDP1CDK9
SCHEMBL2992621 0.83 CDK9 (0.42) IGF1RGSK3BDYRK1ACDK9CCNT1
SCHEMBL2984402 0.83 IGF1R (0.51) IGF1RGSK3BCLK4CDK9CCNT1
SCHEMBL5539374 0.83 KDM4E (0.33) IGF1RALDH1A1KDM4ENSD2GSK3B
SCHEMBL2985824 0.82 IGF1R (0.38) IGF1RGSK3BCDK9CCNT1CDC7
SCHEMBL2987587 0.82 CDK9 (0.45) KDM4EGSK3BCDK9CCNT1KDR
SCHEMBL2990280 0.82 HRH4 (0.39) IGF1RGSK3BCDK9CCNT1CDC7
SCHEMBL2999030 0.82 CDK9 (0.42) IGF1RCDK9CCNT1CDC7PIM1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP claimed
US-7786114-B2 Bis-azaindole derivatives, preparation and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-08-31 US claimed
US-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-02-21 US claimed
EP-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP disclosed
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 606/4885ALDH1A1 3344/4885KDM4E 772/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 IGF1R 606/4885ALDH1A1 3344/4885KDM4E 772/4885

“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.