Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748816

SCHEMBL1748816

SCHEMBL1748816

COc1cc2c(B(O)O)cn(C(=O)OC(C)(C)C)c2cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 4/20 0.50
▸ TLR7 Q9NYK1 2/20 0.50
▸ SRD5A1 P18405 2/20 0.47
▸ SRD5A2 P31213 2/20 0.47
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LIPE Q05469 1/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ SMPD1 P17405 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL17417658 0.87 SRD5A1 (0.50) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL1777494 0.87 TLR9 (0.49) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL3101171 0.87 TLR9 (0.49) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL1748650 0.86 L3MBTL1 (0.39) TLR9TLR7CTSLL3MBTL1
SCHEMBL17423709 0.85 TLR9 (0.47) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL18474167 0.81 TLR9 (0.46) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL18474166 0.79 SRD5A1 (0.55) TLR9TLR7SRD5A1SRD5A2HPGD
SCHEMBL20580872 0.74 TLR9 (0.49) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL20580546 0.74 TLR9 (0.48) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL20580853 0.74 TLR9 (0.50) TLR9TLR7SRD5A1SRD5A2HPGD

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 TLR9 4506/4885TLR7 3591/4885SRD5A1 3176/4885
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 TLR9 4506/4885TLR7 3591/4885SRD5A1 3176/4885

“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.