SCHEMBL2991802

SCHEMBL2991802

COc1cc2c(nc1OC)c(I)cn2C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
HTR6 P50406 1/20 0.33
TLR9 Q9NR96 1/20 0.33
PDE4B Q07343 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PDE10A Q9Y233 1/20 0.32
BRD4 O60885 3/20 0.32
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SUV39H2 Q9H5I1 3/20 0.32
SMPD3 Q9NY59 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
PIK3CD O00329 1/20 0.31
EHMT2 Q96KQ7 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
SCHEMBL2994058 0.85 MTNR1A (0.35) MTNR1AMTNR1BHTR6TLR9PDE4B
SCHEMBL2984647 0.84 TLR9 (0.35) HTR6TLR9PDE4BL3MBTL1PDE10A
SCHEMBL16609847 0.80 HTR6 (0.38) MTNR1AMTNR1BHTR6L3MBTL1PDE10A
SCHEMBL16606155 0.76 L3MBTL1 (0.40) HTR6L3MBTL1PDE10ABRD4HSP90AA1
SCHEMBL16606157 0.74 HSP90AA1 (0.41) HTR6L3MBTL1PDE10ABRD4HSP90AA1
SCHEMBL16609850 0.74 GPR119 (0.37) HTR6L3MBTL1PDE10AHSP90AA1HSP90AB1
SCHEMBL16606153 0.72 CFTR (0.37) MTNR1AMTNR1BPDE4BSUV39H2GABRG2
SCHEMBL16593587 0.70 L3MBTL1 (0.43) HTR6L3MBTL1BRD4GABRG2GABRB3
SCHEMBL14555779 0.70 L3MBTL1 (0.41) HTR6L3MBTL1PDE10ABRD4PIK3CD
SCHEMBL17883472 0.69 HSP90AA1 (0.33) HTR6PDE10AHSP90AA1HSP90AB1SUV39H2

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 6 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
CN-101052642-A Novel bis-azaindole derivatives, their preparation and their pharmaceutical use as kinase inhibitors AVENTIS PHARMA SA (FR) 2007-10-10 CN 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 MTNR1A 2128/4885MTNR1B 2122/4885HTR6 1962/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 MTNR1A 2128/4885MTNR1B 2122/4885HTR6 1962/4885

“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.