Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749561

SCHEMBL1749561

SCHEMBL1749561

COc1cc2c(-c3cc4c(CN5CCC(O)CC5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.38
▸ PDCD1 Q15116 3/20 0.38
▸ CD274 Q9NZQ7 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ IGF1R P08069 1/20 0.34
▸ ACHE P22303 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1749361 0.91 HTR6 (0.47) HTR6
SCHEMBL1748875 0.90 VEGFA (0.44) HTR6KDM4EIGF1RACHEALDH1A1
SCHEMBL1749798 0.86 PTGDR2 (0.39) HTR6IGF1RTP53
SCHEMBL1748813 0.85 IGF1R (0.37) HTR6KDM4EIGF1RALDH1A1TP53
SCHEMBL1749067 0.84 GSK3B (0.38) HTR6IGF1RALDH1A1MEN1KMT2A
SCHEMBL1749257 0.84 IGF1R (0.39) HTR6KDM4EIGF1RALDH1A1MEN1
SCHEMBL1748824 0.84 IGF1R (0.39) HTR6IGF1RTP53SMN1; SMN2
SCHEMBL1749323 0.84 KDM4E (0.39) HTR6KDM4EIGF1RALDH1A1MEN1
SCHEMBL1749236 0.83 CFTR (0.39) HTR6IGF1RTP53HPGDSMN1; SMN2
SCHEMBL1748213 0.83 IGF1R (0.37) HTR6IGF1RMEN1KMT2ATP53

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 5 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
CN-1950083-A Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA SA (FR) 2007-04-18 — — 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-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 HTR6 3112/4885PDCD1 1511/4885CD274 2920/4885
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 HTR6 3112/4885PDCD1 1511/4885CD274 2920/4885

“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.