SCHEMBL2984647

SCHEMBL2984647

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NSD2 O96028 1/20 0.33
SMPD3 Q9NY59 2/20 0.33
HTR6 P50406 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.32
PDE10A Q9Y233 1/20 0.32
BRD4 O60885 3/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
STS P08842 1/20 0.31
PDE4B Q07343 1/20 0.31
GALR2 O43603 1/20 0.31
GALR1 P47211 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CFTR P13569 1/20 0.31
ALK Q9UM73 1/20 0.30

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
SCHEMBL2991802 0.84 MTNR1A (0.35) TLR9L3MBTL1NSD2SMPD3HTR6
SCHEMBL2994058 0.84 MTNR1A (0.35) TLR9L3MBTL1NSD2SMPD3HTR6
SCHEMBL1748650 0.79 L3MBTL1 (0.39) TLR9L3MBTL1NSD2HTR6STS
SCHEMBL25215590 0.71 L3MBTL1 (0.44) L3MBTL1HTR6BRD4GRM5GRM1
SCHEMBL29954772 0.69 AKR1C3 (0.46) L3MBTL1HTR6PDE10ASTS
SCHEMBL1778702 0.69 AKR1C3 (0.46) L3MBTL1HTR6PDE10ASTS
SCHEMBL14487679 0.69 L3MBTL1 (0.56) L3MBTL1HTR6PDE10ABRD4KMT2A
SCHEMBL14555779 0.69 L3MBTL1 (0.41) L3MBTL1HTR6PDE10ABRD4
SCHEMBL1748949 0.68 CYP19A1 (0.38) TLR9L3MBTL1HTR6STSPDE4B
SCHEMBL17883472 0.68 HSP90AA1 (0.33) HTR6SUV39H2PDE10AHSP90AA1HSP90AB1

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 3 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

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 TLR9 4081/4885L3MBTL1 4205/4885NSD2 856/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 TLR9 4081/4885L3MBTL1 4205/4885NSD2 856/4885

“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.