SCHEMBL15416477

SCHEMBL15416477

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)nc3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
TNK2 Q07912 1/20 0.53
MET P08581 5/20 0.51
PIK3CA P42336 3/20 0.49
GPR119 Q8TDV5 2/20 0.49
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
RIPK2 O43353 1/20 0.47
TTK P33981 1/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
LIPC P11150 1/20 0.46
PIK3R1 P27986 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
EGFR P00533 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
SCHEMBL15416435 0.89 MET (0.53) DDB1CRBNTNK2METGPR119
SCHEMBL2750453 0.88 TNK2 (0.55) DDB1CRBNTNK2METGPR119
SCHEMBL17402370 0.87 GPR119 (0.57) DDB1CRBNTNK2METPIK3CA
SCHEMBL2330627 0.86 MET (0.51) DDB1CRBNTNK2METGPR119
SCHEMBL17776914 0.85 TNK2 (0.53) DDB1CRBNTNK2METGPR119
SCHEMBL20067677 0.85 MAP4K3 (0.53) DDB1CRBNTNK2MET
SCHEMBL15416745 0.84 MET (0.52) DDB1CRBNTNK2METGPR119
SCHEMBL1653749 0.84 TNK2 (0.56) DDB1CRBNTNK2METGPR119
SCHEMBL17310200 0.84 MET (0.53) DDB1CRBNTNK2METFGFR1
SCHEMBL2680817 0.84 MET (0.49) DDB1CRBNTNK2METGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
EP-2872501-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES Ares Trading S.A. (CH) 2015-05-20 EP disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 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 (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-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR DDB1 1706/4885CRBN 3338/4885TNK2 1436/4885

“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.