SCHEMBL2217596

SCHEMBL2217596

O=c1c(CO)c(Nc2cccc(Cl)c2)nc2c(F)cccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.43
CSNK2A2 P19784 5/20 0.43
CSNK2B P67870 5/20 0.43
SYK P43405 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
FADS1 O60427 1/20 0.38
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CDK1 P06493 2/20 0.37
POLB P06746 2/20 0.36
THRB P10828 1/20 0.36
CCNB1 P14635 1/20 0.36
EIF2AK2 P19525 1/20 0.36
GSK3B P49841 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL12443029 0.89 EGFR (0.43) NPSR1MEN1KMT2AMAPTCACNA1B
SCHEMBL2217975 0.89 CSNK2A1 (0.44) CSNK2A1CSNK2A2CSNK2BNPSR1MEN1
SCHEMBL2218317 0.88 NPSR1 (0.39) NPSR1MEN1KMT2AMAPTCACNA1B
SCHEMBL2217325 0.88 NPSR1 (0.50) NPSR1MEN1KMT2AMAPTTP53
SCHEMBL2217365 0.87 NPSR1 (0.39) NPSR1MEN1KMT2AMAPTCACNA1B
SCHEMBL15887211 0.87 AURKA (0.42) SYKNPSR1MEN1KMT2AMAPT
SCHEMBL12462118 0.87 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BSYKNPSR1
SCHEMBL2220828 0.87 NPSR1 (0.55) CSNK2A1CSNK2A2CSNK2BNPSR1MEN1
SCHEMBL2217034 0.87 STK10 (0.42) CSNK2A1CSNK2A2CSNK2BSYKNPSR1
SCHEMBL2217488 0.86 SYK (0.41) CSNK2A1CSNK2A2CSNK2BSYKMEN1

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 17 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
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 CSNK2A1 4707/4885CSNK2A2 4682/4885CSNK2B 4560/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 CSNK2A1 4606/4885CSNK2A2 4601/4885CSNK2B 4549/4885

“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.