Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748698

SCHEMBL1748698

SCHEMBL1748698

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCN3CCOCC3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ KIT P10721 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDR P35968 5/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ EPHA2 P29317 2/20 0.36
▸ EPHB4 P54760 2/20 0.36
▸ EGFR P00533 3/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ QPCT Q16769 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
SCHEMBL1748689 0.93 TP53 (0.39) TP53KDM4EALDH1A1SMN1; SMN2PTGDR2
SCHEMBL2985976 0.91 MKNK2 (0.37) MKNK2KDM4ERCE1KITALDH1A1
SCHEMBL1748699 0.89 TP53 (0.36) TP53SMN1; SMN2KDREPHA2EPHB4
SCHEMBL1748509 0.88 TP53 (0.42) TP53KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL1748871 0.87 KIT (0.40) TP53MKNK2KDM4ERCE1KIT
SCHEMBL1749161 0.87 TP53 (0.42) TP53KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL1780587 0.87 KMT2A (0.40) TP53MKNK2KDM4ERCE1ALDH1A1
SCHEMBL5794570 0.85 TP53 (0.41) TP53KDM4EKITALDH1A1SMN1; SMN2
SCHEMBL2997504 0.84 HTR6 (0.37) TP53KDM4EALDH1A1SMN1; SMN2PTGDR2
SCHEMBL1748718 0.84 PTGDR2 (0.39) TP53KDM4EALDH1A1SMN1; SMN2KDR

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 966/4885MKNK2 167/4885KDM4E 981/4885
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 966/4885MKNK2 167/4885KDM4E 981/4885

“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.