Sugi Predict

Sugi Predict / Compounds / SCHEMBL1789037

SCHEMBL1789037

SCHEMBL1789037

O=C(Nc1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(C4CCNCC4)c3)n2)c1)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 10/20 0.55
▸ EGFR P00533 5/20 0.52
▸ ERBB2 P04626 5/20 0.52
▸ BRAF P15056 2/20 0.52
▸ ABL1 P00519 1/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ INSR P06213 2/20 0.49
▸ LCK P06239 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ RET P07949 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ MAP4K2 Q12851 1/20 0.46
▸ STK3 Q13188 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ TAOK1 Q7L7X3 1/20 0.46
▸ MAP4K5 Q9Y4K4 1/20 0.46

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
SCHEMBL1788920 0.91 EGFR (0.52) IGF1REGFRERBB2BRAFABL1
SCHEMBL1787291 0.89 IGF1R (0.53) IGF1REGFRERBB2BRAFSRC
SCHEMBL1788316 0.87 IGF1R (0.55) IGF1REGFRERBB2BRAFINSR
SCHEMBL1789877 0.87 EGFR (0.60) IGF1REGFRERBB2BRAFINSR
SCHEMBL1785590 0.84 IGF1R (0.54) IGF1REGFRERBB2BRAFABL1
SCHEMBL1787640 0.83 IGF1R (0.61) IGF1REGFRERBB2BRAFSRC
SCHEMBL1789281 0.82 BRAF (0.53) IGF1REGFRERBB2BRAFSRC
SCHEMBL1791575 0.82 EGFR (0.62) IGF1REGFRERBB2BRAFSRC
SCHEMBL1788194 0.82 ABL1 (0.55) IGF1REGFRERBB2BRAFABL1
SCHEMBL1786908 0.82 IGF1R (0.55) IGF1REGFRERBB2BRAFABL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051315-B2 Imidazopyridines as a novel scaffold for multi-targeted kinase inhibition ABBVIE INC. (US) 2015-06-09 — — US claimed
EP-2496574-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION Abbott Laboratories (US) 2012-09-12 — — EP claimed
US-20110124632-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
WO-2011053476-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION ABBOTT LABORATORIES (US) 2011-05-05 — — WO claimed
US-9051315-B2 Imidazopyridines as a novel scaffold for multi-targeted kinase inhibition ABBVIE INC. (US) 2015-06-09 — — US disclosed
EP-2496574-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION Abbott Laboratories (US) 2012-09-12 — — EP disclosed
US-20110124632-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION ABBOTT LABORATORIES (US) 2011-05-26 — — US disclosed
WO-2011053476-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION ABBOTT LABORATORIES (US) 2011-05-05 — — WO 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 (1 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-20110124632-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION PACSIN2, MAP4K2, MAP3K6 IGF1R 937/4885EGFR 1013/4885ERBB2 323/4885

“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.