Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748813

SCHEMBL1748813

SCHEMBL1748813

COc1cc2c(-c3cc4c(CNC5CC5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ TP53 P04637 2/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ EED O75530 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ MET P08581 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ TACR1 P25103 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
SCHEMBL1749323 0.96 KDM4E (0.39) IGF1RGSK3BTP53KDM4EPKM
SCHEMBL1749067 0.95 GSK3B (0.38) IGF1RGSK3BTP53ALDH1A1F2
SCHEMBL2990418 0.90 MCHR1 (0.34) IGF1RGSK3BTP53PCSK9MCHR1
SCHEMBL1749798 0.86 PTGDR2 (0.39) IGF1RTP53PCSK9HTR6SCN9A
SCHEMBL1748824 0.86 IGF1R (0.39) IGF1RTP53PCSK9PKMEED
SCHEMBL1749257 0.86 IGF1R (0.39) IGF1RTP53PCSK9KDM4EEED
SCHEMBL1748968 0.86 IGF1R (0.37) IGF1RTP53PCSK9KDM4EEED
SCHEMBL1748804 0.86 IGF1R (0.39) IGF1RTP53PCSK9EEDALDH1A1
SCHEMBL2996528 0.86 CYP3A4 (0.34) GSK3BTP53MCHR1HTR6RAB9A
SCHEMBL1749097 0.85 IGF1R (0.37) IGF1RTP53PCSK9EEDSMN1; 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 IGF1R 817/4885GSK3B 536/4885TP53 966/4885
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 536/4885TP53 966/4885

“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.