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SCHEMBL1748650

SCHEMBL1748650

COc1cc2c(B(O)O)cn(C(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ PDE4B Q07343 4/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ TLR9 Q9NR96 2/20 0.35
▸ EHMT2 Q96KQ7 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ STS P08842 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32
▸ KMT5A Q9NQR1 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ RCOR1 Q9UKL0 1/20 0.32

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
SCHEMBL1748816 0.86 TLR9 (0.50) L3MBTL1TLR9CTSLTLR7
SCHEMBL29122828 0.83 L3MBTL1 (0.41) L3MBTL1HTR6PDE4BPDE4APDE4C
SCHEMBL31370601 0.82 MTNR1A (0.41) L3MBTL1HTR6PDE4BPDE4APDE4C
SCHEMBL3109280 0.82 MTNR1A (0.41) L3MBTL1HTR6PDE4BPDE4APDE4C
SCHEMBL29954772 0.82 AKR1C3 (0.46) L3MBTL1HTR6STSMTNR1AMTNR1B
SCHEMBL1778702 0.82 AKR1C3 (0.46) L3MBTL1HTR6STSMTNR1AMTNR1B
SCHEMBL17429443 0.81 LCK (0.39) L3MBTL1HTR6PDE4BPDE4APDE4C
SCHEMBL2984647 0.79 TLR9 (0.35) L3MBTL1HTR6PDE4BNSD2TLR9
SCHEMBL29957304 0.78 HTR6 (0.46) L3MBTL1HTR6STS
SCHEMBL1607230 0.78 L3MBTL1 (0.44) L3MBTL1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 — — US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 — — US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 — — US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 — — 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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 L3MBTL1 4601/4885HTR6 3112/4885PDE4B 535/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 L3MBTL1 4601/4885HTR6 3112/4885PDE4B 535/4885

“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.