SCHEMBL4826458

SCHEMBL4826458

Cc1ncn(-c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2O)CCCOC32CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.36
EGLN1 Q9GZT9 2/20 0.33
KCNE1 P15382 1/20 0.31
CCR1 P32246 1/20 0.31
KCNQ1 P51787 1/20 0.31
CALCA P06881 4/20 0.31
MYC P01106 2/20 0.31
WDR5 P61964 2/20 0.31
P2RX7 Q99572 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CNR2 P34972 1/20 0.30
KAT7 O95251 1/20 0.30
KAT6A Q92794 1/20 0.30
KAT5 Q92993 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30

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
SCHEMBL4824125 0.96 CYP2C9 (0.39) CYP2C9KCNH2EGLN1KCNE1CCR1
SCHEMBL3836159 0.96 CYP2C9 (0.34) CYP2C9KCNH2EGLN1KCNE1CCR1
SCHEMBL3836168 0.92 CYP2C9 (0.36) CYP2C9KCNH2EGLN1KCNE1CCR1
SCHEMBL4832696 0.92 CYP2C9 (0.36) CYP2C9KCNH2EGLN1KCNE1CCR1
SCHEMBL5621820 0.90 CYP2C9 (0.40) CYP2C9KCNH2EGLN1KCNE1CCR1
SCHEMBL4822933 0.90 LIPG (0.37) CYP2C9KCNH2EGLN1CALCACNR2
SCHEMBL4832292 0.89 KCNH2 (0.35) CYP2C9KCNH2EGLN1KCNE1CCR1
SCHEMBL2081447 0.89 CYP2C9 (0.34) CYP2C9KCNH2EGLN1KCNE1CCR1
SCHEMBL4826958 0.87 CYP2C9 (0.37) CYP2C9KCNH2CALCA
SCHEMBL2528527 0.87 EGLN1 (0.34) CYP2C9KCNH2EGLN1KCNE1CCR1

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-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US claimed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO claimed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 US claimed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 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-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 CYP2C9 1079/4885KCNH2 3435/4885EGLN1 1590/4885

“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.