Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749273

SCHEMBL1749273

SCHEMBL1749273

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ KAT6A Q92794 2/20 0.37
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ PTGER1 P34995 3/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL1748718 0.92 PTGDR2 (0.39) PTGDR2IGF1RPCSK9TP53ALDH3A1
SCHEMBL1748775 0.89 PTGDR2 (0.37) PTGDR2IGF1RPCSK9TP53ALDH3A1
SCHEMBL1749060 0.89 PTGDR2 (0.37) PTGDR2IGF1RPCSK9TP53ALDH3A1
SCHEMBL1749146 0.88 PTGDR2 (0.36) PTGDR2IGF1RPCSK9TP53ALDH3A1
SCHEMBL1749053 0.87 IGF1R (0.44) PTGDR2SRD5A1SRD5A2IGF1RPCSK9
SCHEMBL1779402 0.87 IGF1R (0.44) PTGDR2SRD5A1SRD5A2IGF1RPCSK9
SCHEMBL1748944 0.85 CTSV (0.40) PTGDR2SRD5A1SRD5A2PSEN1PSEN2
SCHEMBL1749211 0.84 IGF1R (0.39) PTGDR2IGF1RPCSK9TP53
SCHEMBL1749121 0.83 IGF1R (0.40) PTGDR2IGF1RPCSK9PDE4APDE4B
SCHEMBL1748509 0.83 TP53 (0.42) PTGDR2TP53ALDH3A1

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 PTGDR2 806/4885KAT6A 3306/4885SRD5A1 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 PTGDR2 806/4885KAT6A 3306/4885SRD5A1 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.