Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748879

SCHEMBL1748879

SCHEMBL1748879

COc1cc2c(-c3cc4cccnc4[nH]3)cn(CCCN3CCCN(C)CC3)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.61
▸ GSK3B P49841 2/20 0.41
▸ KDR P35968 1/20 0.41
▸ RIPK1 Q13546 3/20 0.39
▸ SYK P43405 1/20 0.39
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ EHMT2 Q96KQ7 5/20 0.38
▸ DNMT1 P26358 2/20 0.38
▸ CHKA P35790 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ QPCT Q16769 1/20 0.36

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
SCHEMBL1748413 0.95 IGF1R (0.63) IGF1RGSK3BKDRRIPK1SYK
Trifluoroacetic Acid SCHEMBL1748997 0.93 IGF1R (0.53) IGF1RGSK3BKDRRIPK1SYK
SCHEMBL1749006 0.91 IGF1R (0.67) IGF1RGSK3BKDRRIPK1SYK
SCHEMBL5797045 0.90 IGF1R (0.63) IGF1RGSK3BKDRRIPK1SYK
SCHEMBL1748415 0.89 IGF1R (0.69) IGF1RSYKEHMT2DNMT1TLR9
SCHEMBL1748897 0.84 IGF1R (0.65) IGF1RGSK3BRIPK1SYKCLK2
SCHEMBL1748781 0.84 IGF1R (0.55) IGF1RGSK3BKDRRIPK1SYK
Trifluoroacetic Acid SCHEMBL1748780 0.84 IGF1R (0.55) IGF1RGSK3BKDRRIPK1SYK
SCHEMBL1779928 0.84 IGF1R (0.66) IGF1RGSK3BKDRRIPK1SYK
SCHEMBL1748850 0.83 IGF1R (0.71) IGF1RGSK3BKDRRIPK1SYK

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 536/4885KDR 513/4885
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 536/4885KDR 513/4885

“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.