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Sugi Predict / Compounds / SCHEMBL1748998

SCHEMBL1748998

SCHEMBL1748998

COc1cc2c(-c3cc4cccnc4n3OC(=O)C(F)(F)F)cn(CCCN3CCCN(C)CC3)c2cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.37
▸ KDR P35968 2/20 0.37
▸ MET P08581 7/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.34
▸ EHMT2 Q96KQ7 3/20 0.33
▸ EHMT1 Q9H9B1 2/20 0.33
▸ QPCT Q16769 2/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ CHKA P35790 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ DNMT1 P26358 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ AXL P30530 2/20 0.32
▸ SRC P12931 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
Trifluoroacetic Acid SCHEMBL1748636 0.83 PTGDR2 (0.35) GSK3BKDRMETPDGFRBKIT
Trifluoroacetic Acid SCHEMBL1748997 0.80 IGF1R (0.53) GSK3BKDRMETTLR8EHMT2
SCHEMBL1748507 0.77 IGF1R (0.36) IGF1RAXL
SCHEMBL1749282 0.77 HTR7 (0.35) GSK3BKDRMETPDGFRBKIT
SCHEMBL1748879 0.76 IGF1R (0.61) GSK3BKDREHMT2EHMT1QPCT
Trifluoroacetic Acid SCHEMBL1749281 0.75 PTGDR2 (0.36) GSK3B
SCHEMBL1748781 0.73 IGF1R (0.55) GSK3BKDREHMT2EHMT1QPCT
SCHEMBL5819132 0.72 HPGD (0.38) GSK3BIGF1R
Trifluoroacetic Acid SCHEMBL1748780 0.72 IGF1R (0.55) GSK3BKDRIGF1R
SCHEMBL1748413 0.71 IGF1R (0.63) GSK3BKDRFLT3EHMT2IGF1R

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 GSK3B 536/4885KDR 513/4885MET 1319/4885
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 GSK3B 536/4885KDR 513/4885MET 1319/4885

“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.