SCHEMBL2994058

SCHEMBL2994058

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KCNH2 Q12809 2/20 0.34
HTR6 P50406 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
TLR9 Q9NR96 1/20 0.33
SUV39H2 Q9H5I1 5/20 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
SMPD3 Q9NY59 1/20 0.32
PDE4B Q07343 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
SCHEMBL2991802 0.85 MTNR1A (0.35) MTNR1AMTNR1BHTR6TLR9SUV39H2
SCHEMBL2984647 0.84 TLR9 (0.35) HTR6TLR9SUV39H2L3MBTL1PDE10A
SCHEMBL31370601 0.78 MTNR1A (0.41) MTNR1AMTNR1BHTR6TLR9L3MBTL1
SCHEMBL3109280 0.78 MTNR1A (0.41) MTNR1AMTNR1BHTR6TLR9L3MBTL1
SCHEMBL21060380 0.76 KCNH2 (0.34) KCNH2HTR6PIK3R1PIK3CAL3MBTL1
SCHEMBL30675219 0.76 KCNH2 (0.34) KCNH2HTR6PIK3R1PIK3CAL3MBTL1
SCHEMBL30973540 0.74 CYP2C9 (0.34) MTNR1AMTNR1BL3MBTL1BRD4
SCHEMBL13093820 0.73 NQO2 (0.36) PIK3CASUV39H2L3MBTL1
SCHEMBL15708569 0.73 L3MBTL1 (0.54) MTNR1AMTNR1BKCNH2HTR6L3MBTL1
SCHEMBL29361457 0.72 GRIN2B (0.34) KCNH2HTR6PIK3R1PIK3CAL3MBTL1

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 7 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-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-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
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

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 2122/4885KCNH2 1151/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 MTNR1A 2128/4885MTNR1B 2122/4885KCNH2 1151/4885

“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.