Sugi Predict

Sugi Predict / Compounds / SCHEMBL2222276

SCHEMBL2222276

SCHEMBL2222276

Cc1nc(COc2cnc(-c3cccc(Cc4nn(-c5cnn(C)c5)ccc4=O)c3)nc2)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ DAO P14920 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ MET P08581 5/20 0.32
▸ IRAK1 P51617 3/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 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
SCHEMBL13274917 0.91 PPARG (0.33) PPARGPPARADAOHCRTR1HCRTR2
SCHEMBL13275266 0.90 GAA (0.35) GAAPPARGPPARAALDH1A1IRAK4
SCHEMBL2220233 0.90 IRAK4 (0.35) GAAPPARGPPARAALDH1A1IRAK4
SCHEMBL2266318 0.88 USP1 (0.38) PPARGPPARAIRAK4METIRAK1
SCHEMBL2220441 0.88 FGFR1 (0.36) PPARGPPARAIRAK4MET
SCHEMBL2221907 0.87 ALKBH1 (0.41) PPARGPPARA
SCHEMBL2221516 0.87 MET (0.34) IRAK4METIRAK1
SCHEMBL2265885 0.86 DAO (0.42) PPARGPPARADAOHCRTR1HCRTR2
SCHEMBL13274653 0.85 IRAK1 (0.39) IRAK4METIRAK1
SCHEMBL164227 0.85 BRD4 (0.37) PPARGPPARAIRAK4METIRAK1

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 — — EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — WO claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 — — EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 GAA 1463/4885PPARG 2354/4885PPARA 3069/4885

“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.