SCHEMBL2217551

SCHEMBL2217551

Cc1cccn2c(=O)c(CO)c(N3CCOCC3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 8/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.50
POLB P06746 2/20 0.49
MAPK1 P28482 2/20 0.49
RXFP1 Q9HBX9 3/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.47
HSD17B10 Q99714 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CASP1 P29466 2/20 0.44

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
Hydrochloric Acid SCHEMBL2219072 0.99 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL15887235 0.88 ALDH1A1 (0.65) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL2219070 0.81 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL2214575 0.80 ALDH1A1 (0.78) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL13752231 0.72 PIK3CD (0.69)
SCHEMBL2216697 0.71 KDM4E (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL30769729 0.69 PIK3CB (0.51) SMN1; SMN2
SCHEMBL2150350 0.69 NPC1 (0.65) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL15887176 0.69 ALDH1A1 (0.65) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL29951831 0.68 ALDH1A1 (0.97) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD

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 SMN1; SMN2 4839/4885KMT2A 4781/4885MEN1 3685/4885
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 SMN1; SMN2 4530/4885KMT2A 4390/4885MEN1 3613/4885

“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.