SCHEMBL5117550

SCHEMBL5117550

C#CCNC(=O)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 8/20 0.46
FEN1 P39748 8/20 0.46
ERCC4 Q92889 8/20 0.46
DNASE1 P24855 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 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
SCHEMBL5129158 0.83 MAOB (0.44) ERCC1FEN1ERCC4DNASE1SMN1; SMN2
SCHEMBL5123552 0.83 SMN1; SMN2 (0.61) ERCC1FEN1ERCC4DNASE1SMN1; SMN2
SCHEMBL5139628 0.81 LMNA (0.63) ERCC1FEN1ERCC4SMN1; SMN2NPC1
SCHEMBL5129249 0.81 ERCC1 (0.53) ERCC1FEN1ERCC4SMN1; SMN2NPC1
SCHEMBL5129513 0.80 KMT2A (0.64) ERCC1FEN1ERCC4SMN1; SMN2NPC1
SCHEMBL5128752 0.80 KDM4E (0.53) ERCC1FEN1ERCC4DNASE1SMN1; SMN2
SCHEMBL5251255 0.80 HPGD (0.47) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL5114712 0.80 POLB (0.53) ERCC1FEN1ERCC4DNASE1SMN1; SMN2
SCHEMBL5121684 0.80 NPC1 (0.45) ERCC1FEN1ERCC4DNASE1SMN1; SMN2
SCHEMBL5130226 0.79 P2RX7 (0.45) ERCC1FEN1ERCC4DNASE1SMN1; SMN2

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 ERCC1 1543/4885FEN1 443/4885ERCC4 435/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP ERCC1 1789/4885FEN1 582/4885ERCC4 481/4885

“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.