SCHEMBL5113949

SCHEMBL5113949

CN1CCN(Cc2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CALCA P06881 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
KCNE1 P15382 1/20 0.43
CCR1 P32246 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ENPP2 Q13822 1/20 0.42
PRKAA2 P54646 1/20 0.42
POLB P06746 1/20 0.41
HTR2C P28335 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL5123646 0.90 CALCA (0.48) SMN1; SMN2CALCAERCC1FEN1ERCC4
SCHEMBL5121503 0.88 KMT2A (0.54) ERCC1FEN1ERCC4CYP2C9ALDH1A1
SCHEMBL5118246 0.88 KMT2A (0.52) SMN1; SMN2CALCAALDH1A1
SCHEMBL5125742 0.86 ENPP2 (0.47) SMN1; SMN2ENPP2PRKAA2HTR2CMCHR1
SCHEMBL5128662 0.82 CHRM3 (0.52) ENPP2PRKAA2HTR2CMCHR1
SCHEMBL14609911 0.80 ERCC1 (0.48) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL1149957 0.79 KCNE1 (0.50) SMN1; SMN2CALCAERCC1FEN1ERCC4
SCHEMBL5122886 0.79 KCNH2 (0.47) SMN1; SMN2CALCAACE2ERCC1FEN1
SCHEMBL5127309 0.79 ERCC1 (0.46) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL5113424 0.79 ERCC1 (0.46) SMN1; SMN2ERCC1FEN1ERCC4KCNE1

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 SMN1; SMN2 4143/4885CALCA 3593/4885ACE2 850/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP SMN1; SMN2 4190/4885CALCA 3744/4885ACE2 739/4885

“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.