Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749903

SCHEMBL1749903

SCHEMBL1749903

COc1cc2c(-c3cc4c(CN5CC(CNC(=O)OC(C)(C)C)C5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 3/20 0.34
▸ DDR1 Q08345 1/20 0.34
▸ CCNT1 O60563 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ PRKCB P05771 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CFTR P13569 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
SCHEMBL1749236 0.92 CFTR (0.39) SUV39H2DDR1CCNT1CDK9HPGD
SCHEMBL1748961 0.82 IGF1R (0.47) SUV39H2CCNT1CDK9GSK3BJAK2
SCHEMBL1749561 0.82 HTR6 (0.38) HPGDSMN1; SMN2IGF1RHTR6
SCHEMBL1749361 0.81 HTR6 (0.47) CYP2D6HTR6
SCHEMBL1749798 0.80 PTGDR2 (0.39) IGF1RHTR6
SCHEMBL1748813 0.79 IGF1R (0.37) GSK3BSMN1; SMN2IGF1RHTR6
SCHEMBL1748824 0.78 IGF1R (0.39) SMN1; SMN2IGF1RHTR6
SCHEMBL1749257 0.78 IGF1R (0.39) SMN1; SMN2IGF1RHTR6
SCHEMBL1748875 0.78 VEGFA (0.44) DDR1CYP2D6SMN1; SMN2IGF1RHTR6
SCHEMBL5532018 0.78 DYRK1A (0.34) SUV39H2CCNT1CDK9CYP2D6PDPK1

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 SUV39H2 3778/4885DDR1 795/4885CCNT1 534/4885
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 SUV39H2 3778/4885DDR1 795/4885CCNT1 534/4885

“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.