SCHEMBL2529047

SCHEMBL2529047

Cc1ncn(-c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2O)CCOCC3(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
KCNH2 Q12809 1/20 0.34
KCNK3 O14649 3/20 0.32
CNR1 P21554 2/20 0.32
P2RX7 Q99572 2/20 0.32
KCNE1 P15382 1/20 0.31
CCR1 P32246 1/20 0.31
KCNQ1 P51787 1/20 0.31
CNR2 P34972 2/20 0.31
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
MAPK8 P45983 1/20 0.30
POLB P06746 1/20 0.30
HTR2C P28335 1/20 0.30
MCHR1 Q99705 1/20 0.30
TP53 P04637 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
SCHEMBL2530262 0.91 CYP2C9 (0.35) CYP2C9EGLN1KCNH2KCNK3CNR1
SCHEMBL2528527 0.91 EGLN1 (0.34) CYP2C9EGLN1KCNH2KCNK3CNR1
SCHEMBL5011940 0.90 CYP2C9 (0.36) CYP2C9EGLN1KCNH2KCNK3CNR1
SCHEMBL4832292 0.89 KCNH2 (0.35) CYP2C9EGLN1KCNH2KCNK3P2RX7
SCHEMBL2524286 0.87 CYP2C9 (0.35) CYP2C9EGLN1KCNH2KCNK3CNR1
SCHEMBL2525778 0.87 CYP2C9 (0.35) CYP2C9EGLN1KCNH2KCNK3CNR1
SCHEMBL3836159 0.87 CYP2C9 (0.34) CYP2C9EGLN1KCNH2KCNK3P2RX7
SCHEMBL14510810 0.87 CYP2C9 (0.35) CYP2C9EGLN1KCNH2KCNK3CNR1
SCHEMBL5621820 0.87 CYP2C9 (0.40) CYP2C9EGLN1KCNH2CNR1KCNE1
SCHEMBL4832696 0.86 CYP2C9 (0.36) CYP2C9EGLN1KCNH2KCNK3KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US claimed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP claimed
EP-1948666-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-07-30 EP claimed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO claimed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US claimed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 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-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 CYP2C9 662/4885EGLN1 812/4885KCNH2 3129/4885

“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.