SCHEMBL5127964

SCHEMBL5127964

COc1cccc(CNC(=O)c2nc(-c3ccccc3C)nc(O)c2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 1/20 0.53
MAPK14 Q16539 2/20 0.51
MAPK11 Q15759 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
HPGD P15428 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PRKACA P17612 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
PRKX P51817 1/20 0.49
PRKCQ Q04759 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL5130148 0.86 ALDH1A1 (0.54) SMN1; SMN2MAPK14LMNAHPGDCYP2D6
SCHEMBL5129332 0.85 MMP13 (0.59) MMP13SMN1; SMN2MAPK14MAPK11LMNA
SCHEMBL31347378 0.84 MMP13 (0.58) MMP13SMN1; SMN2RAB9ALMNAHTT
SCHEMBL5129381 0.82 WDR5 (0.43) SMN1; SMN2HPGDKDM4EALDH1A1POLB
SCHEMBL5128797 0.82 P2RX7 (0.44) MMP13HPGDKDM4EALDH1A1
SCHEMBL5117970 0.81 MAPT (0.58) MMP13SMN1; SMN2LMNAHTTROCK2
SCHEMBL5127339 0.80 MMP13 (0.52) MMP13SMN1; SMN2LMNAHTTROCK2
SCHEMBL5129254 0.80 ALDH1A1 (0.47) SMN1; SMN2HTTHPGDKDM4EALDH1A1
SCHEMBL5123524 0.80 SMN1; SMN2 (0.54) MMP13SMN1; SMN2RAB9ALMNAHTT
SCHEMBL5121872 0.79 ROCK2 (0.50) SMN1; SMN2LMNAHTTROCK2ROCK1

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 4424/4885SMN1; SMN2 4143/4885RAB9A 3221/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MMP13 4306/4885SMN1; SMN2 4190/4885RAB9A 3288/4885

“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.