SCHEMBL2876016

SCHEMBL2876016

CSc1nc([NH])c(-c2ccccc2)c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
XBP1 P17861 1/20 0.43
PAX8 Q06710 1/20 0.43
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
DCUN1D1 Q96GG9 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 5/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4844072 0.88 KDM4E (0.49) KDM4EHTTNPC1RAB9AXBP1
SCHEMBL2876019 0.80 HSP90AA1 (0.50) KDM4EHTTNPC1RAB9AXBP1
SCHEMBL13064595 0.79 DHFR (0.47) KDM4EHTTNPC1RAB9AXBP1
SCHEMBL13020880 0.78 KDM4E (0.41) KDM4EHTTNPC1RAB9AXBP1
SCHEMBL6624890 0.76 MAPT (0.55) KDM4EHTTNPC1RAB9AXBP1
SCHEMBL4839488 0.76 KDM4E (0.57) KDM4EHTTNPC1RAB9AXBP1
SCHEMBL10847225 0.76 HSP90AA1 (0.43) KDM4EHTTNPC1RAB9AXBP1
SCHEMBL2867595 0.75 MEN1 (0.55) KDM4EHTTNPC1RAB9ANPSR1
SCHEMBL7699598 0.73 KDM4E (0.49) KDM4EHTTNPC1RAB9AHSP90AA1
SCHEMBL7811229 0.72 CYP1A2 (0.58) KDM4EHTTNPC1RAB9ADCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
EP-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP KDM4E 1834/4885HTT 18/4885NPC1 1518/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP KDM4E 1834/4885HTT 18/4885NPC1 1518/4885

“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.