Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749097

SCHEMBL1749097

SCHEMBL1749097

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ PCSK9 Q8NBP7 3/20 0.35
▸ PTGDR2 Q9Y5Y4 5/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MET P08581 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ HTR6 P50406 3/20 0.31
▸ EED O75530 1/20 0.31
▸ LMNA P02545 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
SCHEMBL1749257 0.89 IGF1R (0.39) IGF1RTP53PCSK9PTGDR2MAPT
SCHEMBL1749798 0.89 PTGDR2 (0.39) IGF1RTP53PCSK9PTGDR2MET
SCHEMBL1748824 0.89 IGF1R (0.39) IGF1RTP53PCSK9PTGDR2MAPT
SCHEMBL1749085 0.87 TP53 (0.38) IGF1RTP53PCSK9PTGDR2MAPT
SCHEMBL1748213 0.86 IGF1R (0.37) IGF1RTP53PCSK9PTGDR2MAPT
SCHEMBL1749121 0.86 IGF1R (0.40) IGF1RTP53PCSK9PTGDR2MAPT
SCHEMBL1748813 0.85 IGF1R (0.37) IGF1RTP53PCSK9PTGDR2SMN1; SMN2
SCHEMBL1749211 0.85 IGF1R (0.39) IGF1RTP53PCSK9PTGDR2SMN1; SMN2
SCHEMBL1749361 0.85 HTR6 (0.47) HTR6
SCHEMBL1748718 0.84 PTGDR2 (0.39) IGF1RTP53PCSK9PTGDR2MAPT

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 IGF1R 817/4885TP53 966/4885PCSK9 3328/4885
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 IGF1R 817/4885TP53 966/4885PCSK9 3328/4885

“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.