SCHEMBL2216129

SCHEMBL2216129

O=C(O)c1cccc(Nc2nc3ccccn3c(=O)c2CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RHOA P61586 1/20 0.47
NPC1 O15118 2/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CDC25B P30305 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
SCHEMBL1581123 0.89 MAPK1 (0.50) HPGDALDH1A1ALOX15NPSR1CYP1A2
SCHEMBL2219739 0.87 ALDH1A1 (0.62) HPGDALDH1A1ALOX15NPSR1CYP1A2
SCHEMBL2218856 0.85 ALDH1A1 (0.49) HPGDALDH1A1ALOX15NPSR1CYP1A2
SCHEMBL12442962 0.84 NPC1 (0.50) HPGDALDH1A1ALOX15NPSR1CYP1A2
SCHEMBL15887148 0.84 TDP1 (0.53) HPGDALDH1A1ALOX15NPSR1CYP1A2
SCHEMBL2218427 0.84 MEN1 (0.53) HPGDALDH1A1ALOX15NPSR1CYP1A2
SCHEMBL1581267 0.82 NPC1 (0.69) HPGDALDH1A1ALOX15NPSR1CYP1A2
SCHEMBL13539599 0.80 NPC1 (0.46) HPGDALDH1A1ALOX15NPSR1CYP1A2
SCHEMBL2215986 0.80 ALDH1A1 (0.47) HPGDALDH1A1ALOX15NPSR1CYP1A2
SCHEMBL2218831 0.80 ALDH1A1 (0.47) HPGDALDH1A1ALOX15NPSR1CYP1A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310388-B1 PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS PASTEUR INSTITUT KOREA (KR) 2015-08-05 EP claimed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US claimed
EP-2310388-B1 PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS PASTEUR INSTITUT KOREA (KR) 2015-08-05 EP disclosed
EP-2310388-B1 PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS PASTEUR INSTITUT KOREA (KR) 2015-08-05 EP disclosed
CN-103983627-A Pyridopyrimidine compounds as anti-tubercular agents PASTEUR INSTITUT KOREA 2014-08-13 CN disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
CN-102105470-B Pyridopyrimidine compounds as antitubercular agents PASTEUR INSTITUT KOREA 2014-06-04 CN disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 US disclosed
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 US disclosed
CN-102812023-A Anti-infective pyrido (1,2-A) pyrimidines PASTEUR INSTITUT KOREA 2012-12-05 CN disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
WO-2011085990-A1 ANTI - INFECTIVE PYRIDO (1,2 -A) PYRIMIDINES INSTITUT PASTEUR KOREA (KR) 2011-07-21 WO disclosed
CN-102105470-A Pyridopyrimidine compounds as antitubercular agents PASTEUR INSTITUT KOREA 2011-06-22 CN disclosed
WO-2010003533-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-01-14 WO 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 HPGD 1413/4885ALDH1A1 3932/4885ALOX15 1708/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 HPGD 737/4885ALDH1A1 2522/4885ALOX15 1687/4885

“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.