SCHEMBL5228905

SCHEMBL5228905

CC(C)(C)OC(=O)NCCNCc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
SCN8A Q9UQD0 1/20 0.51
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
THRB P10828 1/20 0.48
MLYCD O95822 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MAPK14 Q16539 1/20 0.46
BCHE P06276 2/20 0.46

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
SCHEMBL5233178 0.93 SCN8A (0.55) MEN1KMT2AKDM4ETDP1SCN8A
SCHEMBL6991255 0.87 CACNA1H (0.46) MEN1KMT2AKDM4ETDP1PDCD1
SCHEMBL18198086 0.85 CTSS (0.54) MEN1KMT2ASCN8APDCD1CD274
SCHEMBL17687214 0.85 PHGDH (0.46) MEN1KMT2ASCN8APDCD1CD274
SCHEMBL28929817 0.84 HDAC1 (0.51) MEN1KMT2AKDM4ETDP1CYP1A2
SCHEMBL22452352 0.84 POLB (0.53) KDM4EPDCD1CD274CYP3A4CYP2D6
SCHEMBL22452353 0.82 CTSB (0.54) KDM4EPDCD1CD274NPC1CYP1A2
SCHEMBL7107994 0.82 KDM4E (0.54) KDM4EPDCD1CD274NPC1RAB9A
SCHEMBL31500361 0.82 KDM4E (0.54) KDM4EPDCD1CD274NPC1RAB9A
SCHEMBL22605044 0.82 ATM (0.58) MEN1KMT2AKDM4ETDP1PDCD1

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 MEN1 770/4885KMT2A 1383/4885KDM4E 3321/4885

“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.