Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748699

SCHEMBL1748699

SCHEMBL1748699

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCN3CCC(CCO)CC3)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ HTR6 P50406 5/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR4 Q13639 1/20 0.32
▸ EPHA2 P29317 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ LMNA P02545 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
SCHEMBL1748689 0.89 TP53 (0.39) TP53PTGDR2HTR6SMN1; SMN2
SCHEMBL1748698 0.89 TP53 (0.39) TP53PTGDR2SMN1; SMN2EPHA2KDR
SCHEMBL2994559 0.88 HTR4 (0.33) PTGDR2HTR6HTR2AHTR2CHTR4
SCHEMBL1748509 0.84 TP53 (0.42) TP53PTGDR2SMN1; SMN2EPHA2KDR
SCHEMBL1749161 0.84 TP53 (0.42) TP53PTGDR2SMN1; SMN2EPHA2KDR
SCHEMBL2993561 0.83 PTGDR2 (0.32) TP53PTGDR2HTR6HTR4LMNA
SCHEMBL2997504 0.80 HTR6 (0.37) TP53PTGDR2HTR6SMN1; SMN2LMNA
SCHEMBL1748718 0.80 PTGDR2 (0.39) TP53PTGDR2SMN1; SMN2EPHA2KDR
SCHEMBL2986214 0.80 TDP1 (0.34) PTGDR2SMN1; SMN2HTR4LMNA
SCHEMBL2985976 0.80 MKNK2 (0.37) PTGDR2HTR6HPGDSMN1; 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 5 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
CN-1950083-A Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA SA (FR) 2007-04-18 — — CN 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 966/4885PTGDR2 806/4885HTR6 3112/4885
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 966/4885PTGDR2 806/4885HTR6 3112/4885

“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.