SCHEMBL5128170

SCHEMBL5128170

O=C(NCc1ccc(F)cc1)c1nc(C(NCc2ccc(F)cc2)c2ccccc2)nc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PTGER4 P35408 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.42
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL5124130 0.95 L3MBTL1 (0.46) KMT2ACYP1A2CYP2C19ERCC1FEN1
SCHEMBL5116178 0.92 GAA (0.47) KMT2AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL5249177 0.92 GAA (0.47) KMT2AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL5253468 0.91 HPGD (0.42) KMT2AERCC1FEN1ERCC4ALDH1A1
SCHEMBL5118583 0.91 KMT2A (0.44) KMT2ACYP1A2CYP2C19ERCC1FEN1
SCHEMBL5118836 0.89 KMT2A (0.52) KMT2AALDH1A1LMNASMN1; SMN2TP53
SCHEMBL5122423 0.87 CCR2 (0.45) ALDH1A1KDM4ELMNAHPGDPTGER4
SCHEMBL5123558 0.86 CCR2 (0.46) ALDH1A1KDM4ELMNAHPGDPTGER4
SCHEMBL5115500 0.86 KMT2A (0.43) KMT2ACYP1A2CYP2C19ERCC1FEN1
SCHEMBL5123079 0.86 EGLN1 (0.49) KMT2ACYP1A2CYP2C19ERCC1FEN1

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.