Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748734

SCHEMBL1748734

SCHEMBL1748734

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCCN1CCCCC1C1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ TP53 P04637 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ F2 P00734 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ CHUK O15111 1/20 0.30
▸ ATM Q13315 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5794306 0.85 HTR6 (0.34) HTR2CTP53SMN1; SMN2HTR6ATM
SCHEMBL1748775 0.84 PTGDR2 (0.37) EPHA2KDREPHB4AXLPTGDR2
SCHEMBL1748733 0.83 HRH3 (0.40) EPHA2KDREPHB4ALDH1A1
SCHEMBL1749060 0.82 PTGDR2 (0.37) EPHA2KDREPHB4PTGDR2TP53
SCHEMBL1748718 0.82 PTGDR2 (0.39) EPHA2KDREPHB4AXLPTGDR2
SCHEMBL1749146 0.82 PTGDR2 (0.36) EPHA2KDREPHB4AXLPTGDR2
SCHEMBL1749112 0.81 KIT (0.36) EPHA2KDREPHB4
SCHEMBL4502452 0.81 KIT (0.38) EPHA2KDREPHB4
SCHEMBL1748713 0.80 IGF1R (0.46) EPHA2KDREPHB4HTR2CAXL
SCHEMBL1749273 0.78 PTGDR2 (0.39) 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 EPHA2 1440/4885KDR 513/4885EPHB4 2001/4885
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 EPHA2 1440/4885KDR 513/4885EPHB4 2001/4885

“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.