SCHEMBL13313432

SCHEMBL13313432

O=Cc1ccc2cncc(O)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
ERN1 O75460 4/20 0.41
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 1/20 0.37
CD74 P04233 1/20 0.35
MIF P14174 1/20 0.35
MEN1 O00255 8/20 0.34
NPC1 O15118 8/20 0.34
KMT2A Q03164 8/20 0.34
RAB9A P51151 7/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
HTR2B P41595 1/20 0.33
FGFR4 P22455 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
AGTR1 P30556 2/20 0.33
HSP90AA1 P07900 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13348537 0.79 KDM4E (0.63) CCR1KDM4EALDH1A1CD74MIF
SCHEMBL31105700 0.78 CCR1 (0.55) CCR1ERN1ALDH1A1FGFR4MAPKAPK2
SCHEMBL13456115 0.78 CCR1 (0.55) CCR1ERN1ALDH1A1FGFR4MAPKAPK2
SCHEMBL13313429 0.77 KDM4E (0.45) KDM4EALDH1A1CD74MIFMEN1
SCHEMBL29406155 0.76 KDM4E (0.64) CCR1KDM4EALDH1A1CD74MIF
SCHEMBL279696 0.76 KDM4E (0.64) CCR1KDM4EALDH1A1CD74MIF
SCHEMBL29694379 0.76 KDM4E (0.64) CCR1KDM4EALDH1A1CD74MIF
SCHEMBL31157804 0.74 KDM4E (0.62) CCR1KDM4EALDH1A1CD74MIF
SCHEMBL28500579 0.74 KDM4E (0.62) CCR1KDM4EALDH1A1CD74MIF
SCHEMBL29783026 0.74 KDM4E (0.62) CCR1KDM4EALDH1A1CD74MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US 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 (1 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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 CCR1 4660/4885ERN1 3571/4885KDM4E 3329/4885

“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.