SCHEMBL2218561

SCHEMBL2218561

COc1cccn2c(=O)c(CO)c(Nc3ccc(F)c(C(F)(F)F)c3)nc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
GRM4 Q14833 1/20 0.38
EGFR P00533 3/20 0.37
PTK2 Q05397 1/20 0.37
GUCY1B2 O75343 4/20 0.37
GUCY1A2 P33402 4/20 0.37
GUCY1A1 Q02108 4/20 0.37
GUCY1B1 Q02153 4/20 0.37
CHRNA7 P36544 1/20 0.37
THRB P10828 1/20 0.37
ERBB2 P04626 1/20 0.37
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
EPHB4 P54760 1/20 0.36
IDO1 P14902 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHA2 P29317 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
SCHEMBL2218148 0.91 TAS2R14 (0.40) EGFRGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL2219260 0.89 MEN1 (0.42) P2RX7ABCG2NPSR1
SCHEMBL12462243 0.88 NPSR1 (0.41) P2RX7GRM4EGFRGUCY1B2GUCY1A2
SCHEMBL2218318 0.87 KDM4E (0.44) EGFRCHRNA7ERBB2EPHB4NPSR1
SCHEMBL1582191 0.87 DHODH (0.46) P2RX7PTK2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL1580038 0.86 MAPT (0.40) EGFRGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL2168136 0.85 BCL6 (0.39) P2RX7EGFRERBB2NPSR1EPHA2
SCHEMBL12461379 0.84 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPSR1
SCHEMBL2216144 0.83 NPSR1 (0.50) NPSR1
SCHEMBL1580012 0.83 MAPT (0.41) THRBNPSR1

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 P2RX7 3868/4885GRM4 4468/4885EGFR 4034/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 P2RX7 306/4885GRM4 3974/4885EGFR 4171/4885

“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.