Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749282

SCHEMBL1749282

SCHEMBL1749282

COc1cc2c(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCCN3CCN(CCOC(=O)C(F)(F)F)CC3)c2cc1OC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.35
▸ HTR6 P50406 3/20 0.35
▸ PTGDR2 Q9Y5Y4 4/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ QPCT Q16769 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ KDR P35968 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL1749281 0.91 PTGDR2 (0.36) HTR7HTR6PTGDR2TP53HPGD
Trifluoroacetic Acid SCHEMBL1748636 0.89 PTGDR2 (0.35) HTR7HTR6PTGDR2TP53MET
SCHEMBL5819132 0.89 HPGD (0.38) HTR7HTR6PTGDR2TP53HPGD
SCHEMBL1748692 0.84 GSK3B (0.42) PTGDR2TP53L3MBTL1FLT3GSK3B
SCHEMBL1748951 0.84 TP53 (0.41) PTGDR2TP53L3MBTL1GSK3BQPCT
SCHEMBL27687962 0.83 PTGDR2 (0.43) PTGDR2TP53L3MBTL1
SCHEMBL1748894 0.83 TP53 (0.42) PTGDR2TP53HPGDSMN1; SMN2L3MBTL1
SCHEMBL1748761 0.83 TP53 (0.42) PTGDR2TP53L3MBTL1GSK3BQPCT
SCHEMBL1749221 0.83 TP53 (0.43) PTGDR2TP53L3MBTL1GSK3B
SCHEMBL1749086 0.83 PTGDR2 (0.32) PTGDR2TP53

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 HTR7 2716/4885HTR6 3112/4885PTGDR2 806/4885
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 HTR7 2716/4885HTR6 3112/4885PTGDR2 806/4885

“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.