SCHEMBL20280701

SCHEMBL20280701

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(-c4ncc(-c5cnn(C6CCCCC6)c5)cn4)c3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.52
IRAK1 P51617 1/20 0.49
HPGDS O60760 3/20 0.48
TTK P33981 2/20 0.47
FGFR3 P22607 3/20 0.47
KDR P35968 3/20 0.47
FGFR1 P11362 2/20 0.47
FGFR2 P21802 2/20 0.47
FGFR4 P22455 2/20 0.47
FLT3 P36888 2/20 0.47
GPR119 Q8TDV5 2/20 0.47
TNK2 Q07912 1/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
WNT1 P04628 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
LIPC P11150 1/20 0.44
RIPK2 O43353 1/20 0.44

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
SCHEMBL15431560 0.93 GPR119 (0.55) METIRAK1HPGDSTTKFGFR3
SCHEMBL16899750 0.92 MET (0.51) METIRAK1HPGDSTTKFGFR3
SCHEMBL16907836 0.92 MET (0.51) METIRAK1HPGDSTTKFGFR3
SCHEMBL15416610 0.92 MET (0.53) METIRAK1HPGDSTTKFGFR3
SCHEMBL15416687 0.91 MET (0.51) METIRAK1HPGDSTTKFGFR3
SCHEMBL15415993 0.90 GPR119 (0.54) METIRAK1HPGDSTTKFGFR3
SCHEMBL16899801 0.90 MET (0.51) METIRAK1HPGDSTTKFGFR3
SCHEMBL15416250 0.90 MET (0.49) METIRAK1HPGDSTTKFGFR3
SCHEMBL15431641 0.90 GPR119 (0.52) METIRAK1HPGDSTTKFGFR3
SCHEMBL15416081 0.89 MET (0.54) METIRAK1HPGDSTTKFGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 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-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 MET 2313/4885IRAK1 3/4885HPGDS 2282/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 MET 1617/4885IRAK1 3/4885HPGDS 3075/4885

“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.