SCHEMBL5115500

SCHEMBL5115500

CC[C@H](C)NC(c1ccccc1)c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGER4 P35408 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.38
HMGCR P04035 1/20 0.38

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
SCHEMBL5129314 0.89 SMN1; SMN2 (0.40) KMT2ACYP1A2CYP2C19PTGER4SMN1; SMN2
SCHEMBL5128170 0.86 KMT2A (0.44) KMT2ACYP1A2CYP2C19PTGER4SMN1; SMN2
SCHEMBL5123079 0.85 EGLN1 (0.49) KMT2ACYP1A2CYP2C19PTGER4SMN1; SMN2
SCHEMBL5124130 0.82 L3MBTL1 (0.46) KMT2ACYP1A2CYP2C19PTGER4L3MBTL1
SCHEMBL5127702 0.81 SMN1; SMN2 (0.42) KMT2ACYP1A2CYP2C19PTGER4SMN1; SMN2
SCHEMBL5114517 0.81 ALDH1A1 (0.44) KMT2ACYP1A2CYP2C19PTGER4SMN1; SMN2
SCHEMBL5121257 0.81 SMN1; SMN2 (0.43) KMT2ACYP1A2CYP2C19PTGER4SMN1; SMN2
SCHEMBL5139760 0.80 SMN1; SMN2 (0.54) SMN1; SMN2POLBL3MBTL1ERCC1FEN1
SCHEMBL5118583 0.80 KMT2A (0.44) KMT2ACYP1A2CYP2C19PTGER4SMN1; SMN2
SCHEMBL5249177 0.79 GAA (0.47) KMT2ASMN1; SMN2L3MBTL1ALDH1A1LMNA

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 KMT2A 914/4885CYP1A2 985/4885CYP2C19 821/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP KMT2A 760/4885CYP1A2 990/4885CYP2C19 807/4885

“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.