Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748616

SCHEMBL1748616

SCHEMBL1748616

COc1cc2c(-c3cc4cc(F)cnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCN3CCN(C)CC3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ HTR6 P50406 10/20 0.39
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ MET P08581 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL1748859 0.93 KIT (0.39) TP53ALDH1A1KDM4EMEN1ALOX12
SCHEMBL1749068 0.88 TP53 (0.41) TP53CYP3A4ALDH1A1KDM4EMEN1
SCHEMBL1748910 0.88 TP53 (0.41) TP53ALDH1A1KDM4EMEN1ALOX12
SCHEMBL2991179 0.84 NPC1 (0.36) ALDH1A1KDM4EKMT2ANPSR1KDR
SCHEMBL5820732 0.83 TP53 (0.44) TP53HTR6CYP3A4CYP2D6ALDH1A1
SCHEMBL1748689 0.82 TP53 (0.39) TP53HTR6ALDH1A1KDM4ETSHR
SCHEMBL1780587 0.81 KMT2A (0.40) TP53HTR6CYP3A4CYP2D6ALDH1A1
SCHEMBL1748871 0.80 KIT (0.40) TP53ALDH1A1KDM4EKMT2AEGFR
SCHEMBL2993772 0.80 HTR6 (0.36) TP53HTR6CYP3A4CYP2D6
SCHEMBL2986526 0.79 PIM1 (0.35) TP53CYP2D6ALDH1A1KDM4EMEN1

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 3112/4885CYP3A4 1204/4885
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 3112/4885CYP3A4 1204/4885

“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.