SCHEMBL16899801

SCHEMBL16899801

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.51
IRAK1 P51617 1/20 0.48
FGFR3 P22607 3/20 0.47
KDR P35968 3/20 0.47
TTK P33981 2/20 0.47
GPR119 Q8TDV5 2/20 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
TNK2 Q07912 1/20 0.47
HPGDS O60760 2/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
LIPC P11150 1/20 0.44
RIPK2 O43353 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43

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 0.90 GPR119 (0.55) METIRAK1FGFR3KDRTTK
SCHEMBL20280701 0.90 MET (0.52) METIRAK1FGFR3KDRTTK
SCHEMBL16899860 0.89 MET (0.52) METFGFR3KDRTTKGPR119
SCHEMBL16907836 0.89 MET (0.51) METIRAK1FGFR3KDRTTK
SCHEMBL16899750 0.89 MET (0.51) METIRAK1FGFR3KDRTTK
SCHEMBL15416610 0.89 MET (0.53) METIRAK1FGFR3KDRTTK
SCHEMBL15416687 0.88 MET (0.51) METIRAK1FGFR3KDRTTK
SCHEMBL15415993 0.88 GPR119 (0.54) METIRAK1FGFR3KDRTTK
SCHEMBL15431641 0.87 GPR119 (0.52) METIRAK1FGFR3KDRTTK
SCHEMBL15416250 0.87 MET (0.49) METIRAK1FGFR3KDRTTK

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-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 US disclosed
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
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
EP-3092225-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS Merck Patent GmbH (DE) 2016-11-16 EP disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 WO disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 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 (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 3/4885FGFR3 800/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 MET 1617/4885IRAK1 3/4885FGFR3 735/4885

“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.