Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748689

SCHEMBL1748689

SCHEMBL1748689

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCN3CCN(C)CC3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ HTR6 P50406 6/20 0.39
▸ AXL P30530 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.34

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
SCHEMBL1748698 0.93 TP53 (0.39) TP53PTGDR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2997504 0.90 HTR6 (0.37) TP53HTR6AXLPTGDR2L3MBTL1
SCHEMBL1748699 0.89 TP53 (0.36) TP53HTR6PTGDR2SMN1; SMN2
SCHEMBL1748509 0.89 TP53 (0.42) TP53PTGDR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1749161 0.88 TP53 (0.42) TP53PTGDR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1748718 0.84 PTGDR2 (0.39) TP53AXLPTGDR2ALDH1A1TSHR
SCHEMBL2986343 0.84 HTR6 (0.34) TP53HTR6AXLPTGDR2KDM4E
SCHEMBL2985976 0.84 MKNK2 (0.37) HTR6PTGDR2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1748616 0.82 TP53 (0.39) TP53HTR6ALDH1A1TSHRKDM4E
SCHEMBL2993561 0.82 PTGDR2 (0.32) TP53HTR6PTGDR2

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 TP53 966/4885HTR6 3112/4885AXL 290/4885
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 TP53 966/4885HTR6 3112/4885AXL 290/4885

“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.