SCHEMBL1774136

SCHEMBL1774136

CC(C)(C)OC(=O)c1nc(CC2CCN(c3ccc(C(C)(C)C)cc3)CC2)nc(C(F)F)c1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
GPR119 Q8TDV5 1/20 0.35
CCR3 P51677 1/20 0.35
GRIN2B Q13224 1/20 0.34
YAP1 P46937 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SCN9A Q15858 1/20 0.34
BCHE P06276 1/20 0.34
CHRM2 P08172 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
CHRM4 P08173 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL1773913 0.92 HRH3 (0.39) HRH3CCR3GRIN2BSLC6A2SLC6A4
SCHEMBL1772065 0.90 HRH3 (0.38) HRH3GPR119GRIN2BYAP1SLC6A2
SCHEMBL1773841 0.90 HRH3 (0.38) HRH3GPR119GRIN2BYAP1BCHE
SCHEMBL1773152 0.85 ITGB3 (0.39) HRH3CCR3YAP1
SCHEMBL12602291 0.85 CTSS (0.37) HRH3CCR3GRIN2BBCHE
SCHEMBL27807798 0.84 CHRM4 (0.34) HRH3CCR3GRIN2BCHRM2CHRM4
SCHEMBL1773978 0.83 GPR119 (0.41) GPR119YAP1CKS1BSKP1SKP2
SCHEMBL1772304 0.83 GPR119 (0.41) GPR119YAP1CKS1BSKP1SKP2
SCHEMBL12602054 0.83 ME3 (0.39) GPR119YAP1CKS1BSKP1SKP2
SCHEMBL12782961 0.83 GPR119 (0.41) GPR119YAP1CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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 (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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 HRH3 210/4885GPR119 488/4885CCR3 298/4885

“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.