Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749285

SCHEMBL1749285

SCHEMBL1749285

COc1ccc(CN(Cc2ccnc3c2cc(-c2cn(C)c4cc(OC)c(OC)cc24)n3S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 3/20 0.36
▸ PKM P14618 1/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ HTR6 P50406 5/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ EED O75530 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ IGF1R P08069 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
SCHEMBL1749214 0.93 HTR6 (0.36) ALDH1A1LMNAMAPTPKMHTR6
SCHEMBL1749227 0.85 APLNR (0.38) ALDH1A1MAPTHTR6PTGDR2KDM4E
SCHEMBL1749085 0.83 TP53 (0.38) MAPTHTR6PTGDR2TP53IGF1R
SCHEMBL1748797 0.81 TP53 (0.37) LMNAHTR6PTGDR2GAATP53
SCHEMBL1749293 0.81 IGF1R (0.49) ALDH1A1LMNAMAPTTAS2R14HTR6
SCHEMBL1749798 0.81 PTGDR2 (0.39) HTR6PTGDR2TP53SCN9AIGF1R
SCHEMBL1748824 0.81 IGF1R (0.39) MAPTPKMHTR6PTGDR2TP53
SCHEMBL1749257 0.81 IGF1R (0.39) ALDH1A1MAPTHTR6PTGDR2KDM4E
SCHEMBL1748804 0.81 IGF1R (0.39) ALDH1A1MAPTHTR6PTGDR2TP53
SCHEMBL1749211 0.80 IGF1R (0.39) ALDH1A1HTR6PTGDR2TP53EED

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 ALDH1A1 3780/4885LMNA 3851/4885MAPT 2220/4885
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 ALDH1A1 3780/4885LMNA 3851/4885MAPT 2220/4885

“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.