Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749283

SCHEMBL1749283

SCHEMBL1749283

COc1ccc(CN(C(c2ccnc3[nH]c(-c4cn(C)c5cc(OC)c(OC)cc45)cc23)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 0.42
▸ GSK3B P49841 3/20 0.38
▸ LCK P06239 2/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ CDK7 P50613 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ CDK9 P50750 5/20 0.34
▸ CCNT1 O60563 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL1749212 0.93 IGF1R (0.39) IGF1RGSK3BLCKGSK3ACDK7
SCHEMBL1749226 0.83 IGF1R (0.45) IGF1RGSK3BLCKGSK3ACDK7
SCHEMBL1749293 0.82 IGF1R (0.49) IGF1RGSK3BLCKGSK3ACDK7
SCHEMBL1748795 0.82 NTRK1 (0.40) IGF1RGSK3BLCKGSK3ACDK7
SCHEMBL1749084 0.81 IGF1R (0.49) IGF1RGSK3BLCKGSK3ACDK7
SCHEMBL1748803 0.78 IGF1R (0.51) IGF1RGSK3BLCKGSK3ACDK7
SCHEMBL1748719 0.78 IGF1R (0.47) IGF1RGSK3BLCKGSK3ACDK7
SCHEMBL1749209 0.78 IGF1R (0.49) IGF1RGSK3BLCKGSK3ACDK7
SCHEMBL5797179 0.77 IGF1R (0.46) IGF1RGSK3BLCKGSK3ACDK7
SCHEMBL2634042 0.77 IGF1R (0.53) IGF1RGSK3BLCKGSK3ACDK7

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 IGF1R 817/4885GSK3B 536/4885LCK 176/4885
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 IGF1R 817/4885GSK3B 536/4885LCK 176/4885

“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.