Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748859

SCHEMBL1748859

SCHEMBL1748859

COc1cc2c(-c3cc4cc(F)cnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCN3CCOCC3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.39
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ GSK3B P49841 3/20 0.36
▸ QPCT Q16769 2/20 0.36
▸ MET P08581 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL1748616 0.93 TP53 (0.39) TP53KMT2AKDM4EMETKDR
SCHEMBL2991179 0.91 NPC1 (0.36) KITKMT2ANPC1USP2KDM4E
SCHEMBL1780587 0.88 KMT2A (0.40) TP53KMT2ANPC1USP2KDM4E
SCHEMBL1748910 0.88 TP53 (0.41) TP53KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL1749068 0.88 TP53 (0.41) TP53KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL1748871 0.87 KIT (0.40) KITTP53KMT2ANPC1USP2
SCHEMBL5822423 0.83 TP53 (0.43) KITTP53KMT2ANPC1USP2
SCHEMBL5794570 0.83 TP53 (0.41) KITTP53KMT2ANPC1USP2
SCHEMBL1748698 0.83 TP53 (0.39) KITTP53KMT2ANPC1USP2
SCHEMBL2989479 0.80 KIT (0.36) KITKMT2ANPC1USP2KDM4E

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 KIT 478/4885TP53 966/4885KMT2A 1929/4885
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 KIT 478/4885TP53 966/4885KMT2A 1929/4885

“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.