Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748875

SCHEMBL1748875

SCHEMBL1748875

COc1cc2c(-c3cc4c(CN5CCC(N6CCCCC6)CC5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ HTR6 P50406 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 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
SCHEMBL1749561 0.90 HTR6 (0.38) ALDH1A1KDM4EMEN1KMT2AHTR6
SCHEMBL1749361 0.88 HTR6 (0.47) HTR6CYP2D6
SCHEMBL1748733 0.87 HRH3 (0.40) VEGFAEGLN1ALDH1A1KDM4EMEN1
SCHEMBL1749323 0.84 KDM4E (0.39) ALDH1A1KDM4EMEN1KMT2AHTR6
SCHEMBL1748813 0.83 IGF1R (0.37) ALDH1A1KDM4EHTR6SMN1; SMN2TP53
SCHEMBL1749067 0.82 GSK3B (0.38) ALDH1A1MEN1KMT2AHTR6CYP2D6
SCHEMBL1749257 0.82 IGF1R (0.39) ALDH1A1KDM4EMEN1KMT2AHTR6
SCHEMBL1749798 0.82 PTGDR2 (0.39) HTR6TP53IGF1R
SCHEMBL1748824 0.82 IGF1R (0.39) HTR6SMN1; SMN2TP53IGF1R
SCHEMBL1749204 0.81 L3MBTL1 (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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 VEGFA 4390/4885EGLN1 3449/4885ALDH1A1 3780/4885
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 VEGFA 4390/4885EGLN1 3449/4885ALDH1A1 3780/4885

“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.