SCHEMBL2530262

SCHEMBL2530262

Cc1ncn(-c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2O)CCOCC32CCCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
KCNK3 O14649 3/20 0.32
CALCA P06881 4/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
P2RX7 Q99572 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KCNE1 P15382 1/20 0.30
CCR1 P32246 1/20 0.30
KCNQ1 P51787 1/20 0.30
APP P05067 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
SCHEMBL2528527 0.96 EGLN1 (0.34) CYP2C9KCNH2EGLN1KCNK3PIK3CA
SCHEMBL2529047 0.91 CYP2C9 (0.35) CYP2C9KCNH2EGLN1KCNK3PIK3CA
SCHEMBL3836168 0.89 CYP2C9 (0.36) CYP2C9KCNH2EGLN1KCNK3CALCA
SCHEMBL2526967 0.88 CYP2C9 (0.36) CYP2C9KCNH2EGLN1KCNK3CALCA
SCHEMBL4832292 0.87 KCNH2 (0.35) CYP2C9KCNH2EGLN1KCNK3P2RX7
SCHEMBL4832696 0.87 CYP2C9 (0.36) CYP2C9KCNH2EGLN1KCNK3CALCA
SCHEMBL2526743 0.87 CYP2C9 (0.35) CYP2C9KCNH2KCNK3CALCAPIK3CA
SCHEMBL2528543 0.87 EGLN1 (0.33) CYP2C9KCNH2EGLN1PIK3CACNR1
SCHEMBL3836159 0.86 CYP2C9 (0.34) CYP2C9KCNH2EGLN1KCNK3P2RX7
SCHEMBL2526105 0.86 CYP2C9 (0.36) CYP2C9KCNH2EGLN1KCNK3CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP 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
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 662/4885KCNH2 3129/4885EGLN1 812/4885

“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.