SCHEMBL1581589

SCHEMBL1581589

O=c1c(CO)c(Nc2ccc(Cl)cc2)nc2ccccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.52
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CDK2 P24941 1/20 0.42
GAA P10253 3/20 0.41
GLA P06280 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PDE4B Q07343 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
SCHEMBL2219739 0.90 ALDH1A1 (0.62) ENPP2ALDH1A1NPSR1HPGDALOX15
SCHEMBL2218831 0.89 ALDH1A1 (0.47) ENPP2ALDH1A1NPSR1HPGDALOX15
SCHEMBL2217158 0.89 ALDH1A1 (0.52) ENPP2ALDH1A1NPSR1HPGDALOX15
SCHEMBL15887212 0.88 ENPP2 (0.55) ENPP2ALDH1A1NPSR1HPGDALOX15
SCHEMBL2218427 0.87 MEN1 (0.53) ENPP2ALDH1A1NPSR1HPGDALOX15
SCHEMBL15887155 0.84 KMT2A (0.47) ENPP2ALDH1A1NPSR1HPGDALOX15
SCHEMBL2217004 0.83 NPC1 (0.49) ENPP2ALDH1A1NPSR1HPGDALOX15
SCHEMBL2219876 0.83 KDM4E (0.44) ENPP2ALDH1A1NPSR1HPGDALOX15
SCHEMBL2219569 0.82 MAPT (0.44) ENPP2ALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL2215986 0.82 ALDH1A1 (0.47) ENPP2ALDH1A1NPSR1HPGDALOX15

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 19 patents. 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
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
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
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 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
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
EP-2310388-A2 PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS Institut Pasteur Korea (KR) 2011-04-20 EP disclosed
WO-2010003533-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-01-14 WO 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 ENPP2 329/4885ALDH1A1 3932/4885NPSR1 4172/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 ENPP2 360/4885ALDH1A1 2522/4885NPSR1 3987/4885

“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.