SCHEMBL2215671

SCHEMBL2215671

Cc1cccn2c(=O)c(C=O)c(N3CCN(c4ccccc4Cl)CC3)nc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2C19 P33261 2/20 0.76
MAPT P10636 4/20 0.74
KDM4E B2RXH2 2/20 0.72
HTT P42858 1/20 0.72
MAPK1 P28482 1/20 0.69
LMNA P02545 2/20 0.67
RXFP1 Q9HBX9 3/20 0.64
KMT2A Q03164 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.61
RECQL P46063 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.52
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL2562201 0.85 ALDH1A1 (0.80) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL29951831 0.85 ALDH1A1 (0.97) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL15330150 0.84 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL15887231 0.84 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL2214575 0.82 ALDH1A1 (0.78) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL29954626 0.82 MAPK1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL2220913 0.82 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL15332277 0.81 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL2217889 0.78 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL2553969 0.76 L3MBTL1 (0.78) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 3932/4885CYP1A2 3954/4885CYP3A4 2915/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 ALDH1A1 2522/4885CYP1A2 1818/4885CYP3A4 1767/4885

“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.