SCHEMBL5233178

SCHEMBL5233178

CC(C)(C)OC(=O)NCCCNCc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.51
TP53BP1 Q12888 1/20 0.47
THRB P10828 1/20 0.47
MLYCD O95822 1/20 0.46
CYP3A4 P08684 2/20 0.46
PLA2G1B P04054 1/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MAPK14 Q16539 1/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
BCHE P06276 2/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL5228905 0.93 MEN1 (0.55) SCN8AMEN1KMT2AKDM4ETDP1
SCHEMBL14433656 0.88 RHOC (0.48) SCN8AMEN1KMT2ATDP1MLYCD
SCHEMBL16152205 0.88 CYP3A4 (0.49) MEN1KMT2ATDP1CYP3A4GAA
SCHEMBL28929817 0.87 HDAC1 (0.51) MEN1KMT2AKDM4ETDP1TP53BP1
SCHEMBL16151781 0.83 CYP3A4 (0.46) TDP1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6559442 0.82 ATM (0.55) MEN1KMT2AKDM4ETDP1CYP3A4
SCHEMBL25380988 0.81 LOXL2 (0.48) KDM4ECYP3A4
SCHEMBL17623723 0.81 TP53BP1 (0.72) TP53BP1
SCHEMBL16152237 0.81 MAOA (0.54) MEN1KMT2ATDP1CYP3A4GAA
SCHEMBL6991255 0.80 CACNA1H (0.46) MEN1KMT2AKDM4ETDP1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496059-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2007-08-15 EP disclosed
CN-1330654-C Fused bicyclic pyrimidine derivatives KYORIN SEIYAKU KK (JP) 2007-08-08 CN disclosed
US-7064119-B2 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-06-20 US disclosed
CN-1656098-A Fused bicyclic pyrimidine derivatives KYORIN SEIYAKU KK (JP) 2005-08-17 CN disclosed
US-20050159409-A1 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL CO. LTD. (JP) 2005-07-21 US disclosed
EP-1496059-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2005-01-12 EP 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-20050159409-A1 Fused bicyclic pyrimidine derivatives BDKRB1, BDKRB2, TACR1 SCN8A 563/4885MEN1 770/4885KMT2A 1383/4885

“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.