SCHEMBL2203635

SCHEMBL2203635

CC(C)(N)c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.42
MAOB P27338 2/20 0.39
EPHX2 P34913 4/20 0.37
NR1H4 Q96RI1 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
NTRK1 P04629 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
CFTR P13569 1/20 0.33
KCNE1 P15382 1/20 0.33
CCR1 P32246 1/20 0.33
KCNQ1 P51787 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
CHRM4 P08173 1/20 0.33
KLKB1 P03952 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
SCHEMBL5128894 0.88 DDR1 (0.41) DDR1MAOBEPHX2NR1H4ADORA2A
SCHEMBL5252169 0.87 DDR1 (0.40) DDR1MAOBEPHX2NTRK1KCNE1
SCHEMBL5304414 0.82 DDR1 (0.38) DDR1MAOBEPHX2
SCHEMBL5258740 0.82 DDR1 (0.38) DDR1MAOBEPHX2NR1H4ADORA2A
SCHEMBL6645834 0.82 DDR1 (0.38) DDR1MAOBEPHX2NR1H4ADORA2A
SCHEMBL5311656 0.81 DDR1 (0.37) DDR1EPHX2KCNE1CCR1KCNQ1
SCHEMBL2206665 0.81 ERCC1 (0.47) MAOBKCNE1CCR1KCNQ1
SCHEMBL5129686 0.80 KCNA5 (0.42) DDR1EPHX2KCNE1CCR1KCNQ1
Hydrochloric Acid SCHEMBL2208186 0.80 ERCC1 (0.47) MAOBKCNE1CCR1KCNQ1CHRM4
SCHEMBL13998917 0.79 DDR1 (0.36) DDR1MAOBEPHX2NR1H4ADORA2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US claimed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US claimed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US claimed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP claimed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 US claimed
EP-1441734-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2004-08-04 EP claimed
WO-2003035076-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO claimed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed
WO-2006103399-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-10-05 WO disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 US disclosed
EP-1441734-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003035076-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO 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 (4 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP DDR1 2416/4885MAOB 2019/4885EPHX2 1883/4885
US-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 DDR1 2936/4885MAOB 2104/4885EPHX2 3570/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP DDR1 2401/4885MAOB 1819/4885EPHX2 1940/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 DDR1 4057/4885MAOB 930/4885EPHX2 3571/4885

“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.