SCHEMBL2523947

SCHEMBL2523947

O=C(NCc1ccc(F)cc1-n1cncn1)c1nc2n(c(=O)c1O)CCOCC21CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.33
KCNH2 Q12809 2/20 0.32
DDR1 Q08345 1/20 0.32
DDR2 Q16832 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
EGLN1 Q9GZT9 2/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNK3 O14649 2/20 0.31
ELOVL6 Q9H5J4 1/20 0.31
SCN2A Q99250 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
MAPK8 P45983 1/20 0.30
F2 P00734 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
SCHEMBL2526743 0.96 CYP2C9 (0.35) CYP2C9KCNH2DDR1DDR2PIK3CA
SCHEMBL2525912 0.96 CYP2C9 (0.35) CYP2C9KCNH2DDR1DDR2PIK3CA
SCHEMBL2524286 0.90 CYP2C9 (0.35) CYP2C9KCNH2DDR1DDR2PIK3CA
SCHEMBL3836695 0.89 CYP2C9 (0.33) CYP2C9KCNH2
SCHEMBL3836226 0.89 CYP2C9 (0.34) CYP2C9KCNH2EGLN1SCN2ASCN10A
SCHEMBL2528527 0.87 EGLN1 (0.34) CYP2C9KCNH2PIK3CAPIK3CGEGLN1
SCHEMBL4828900 0.87 KCNH2 (0.34) CYP2C9KCNH2ALDH1A1CYP3A4KCNK3
SCHEMBL2528535 0.87 F2 (0.35) PIK3CAPIK3CGMAPK8F2
SCHEMBL2528543 0.86 EGLN1 (0.33) CYP2C9KCNH2PIK3CAEGLN1MAPK8
SCHEMBL3841171 0.86 CYP2C9 (0.37) CYP2C9KCNH2ALDH1A1CYP3A4F2

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 13 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
EP-1948666-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO 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 662/4885KCNH2 3129/4885DDR1 2764/4885

“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.