SCHEMBL5129654

SCHEMBL5129654

CN(C)Cc1ccc(-c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.50
LSS P48449 1/20 0.47
MLLT3 P42568 1/20 0.44
MLLT1 Q03111 1/20 0.44
ERCC1 P07992 2/20 0.44
FEN1 P39748 2/20 0.44
ERCC4 Q92889 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2C P28335 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 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
SCHEMBL5119304 0.89 HTR2C (0.46) MCHR1ERCC1FEN1ERCC4SMN1; SMN2
SCHEMBL5121610 0.89 ERCC1 (0.43) MCHR1LSSERCC1FEN1ERCC4
SCHEMBL5129349 0.88 KMT2A (0.52) SMN1; SMN2POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL5113424 0.85 ERCC1 (0.46) MCHR1LSSERCC1FEN1ERCC4
SCHEMBL5119851 0.85 NR1H4 (0.43) LSSMLLT3MLLT1ERCC1FEN1
SCHEMBL5121590 0.83 HSP90AA1 (0.44) LSSMLLT3MLLT1ERCC1FEN1
SCHEMBL5118874 0.80 THRB (0.46) POLBKMT2AL3MBTL1ALDH1A1HTT
SCHEMBL1150452 0.80 KCNE1 (0.53) MCHR1LSSMLLT3MLLT1ERCC1
SCHEMBL5129633 0.80 MCHR1 (0.53) MCHR1MLLT3MLLT1SMN1; SMN2ALDH1A1
SCHEMBL5125742 0.80 ENPP2 (0.47) MCHR1SMN1; SMN2HTR2C

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 9 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-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 MCHR1 4469/4885LSS 1494/4885MLLT3 1612/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MCHR1 4378/4885LSS 1764/4885MLLT3 1635/4885

“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.