SCHEMBL5129332

SCHEMBL5129332

COc1cccc(CNC(=O)c2nc(-c3ccc(C)cc3)nc(O)c2O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.59
PRKACA P17612 2/20 0.55
PRKX P51817 2/20 0.55
PRKCQ Q04759 2/20 0.55
ROCK1 Q13464 2/20 0.55
ROCK2 O75116 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
GRK5 P34947 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.51
AURKA O14965 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.50
MAOB P27338 1/20 0.50
MAPK11 Q15759 1/20 0.49

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
SCHEMBL5116917 0.87 TP53 (0.57) GSK3BSMN1; SMN2LMNATP53HPGD
SCHEMBL5119996 0.85 MEN1 (0.48) HPGDMAOB
SCHEMBL5115572 0.85 EGLN1 (0.50) MMP13
SCHEMBL31347378 0.85 MMP13 (0.58) MMP13PRKACAPRKXPRKCQROCK1
SCHEMBL5127964 0.85 MMP13 (0.54) MMP13PRKACAPRKXPRKCQROCK1
SCHEMBL5114522 0.85 SMN1; SMN2 (0.49) PRKACAPRKXROCK1ROCK2GSK3A
SCHEMBL5117970 0.82 MAPT (0.58) MMP13PRKACAPRKXPRKCQROCK1
SCHEMBL5127339 0.81 MMP13 (0.52) MMP13PRKACAPRKXPRKCQROCK1
SCHEMBL5130494 0.80 MAOB (0.46) MMP13ROCK1ROCK2MAOB
SCHEMBL5116179 0.79 KLKB1 (0.59) MMP13PRKACAPRKXPRKCQROCK1

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 11 patents. 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 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-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MMP13 4424/4885PRKACA 1981/4885PRKX 1920/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MMP13 4306/4885PRKACA 2127/4885PRKX 1969/4885

“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.