SCHEMBL3243440

SCHEMBL3243440

NC(=O)Nc1ncc2cccc(O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
KDM4E B2RXH2 8/20 0.42
ALOX12 P18054 3/20 0.42
KMT2A Q03164 1/20 0.42
PLAU P00749 1/20 0.42
NCF1 P14598 1/20 0.42
GAA P10253 1/20 0.41
METAP2 P50579 2/20 0.41
MMP2 P08253 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
COMT P21964 1/20 0.41
ADRA1A P35348 1/20 0.41
METAP1 P53582 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL13348748 0.86 DYRK1A (0.49) PIM1KDM4EALOX12KMT2APLAU
SCHEMBL13313228 0.84 CYP1A2 (0.46) PIM1KDM4EALOX12KMT2APLAU
SCHEMBL13348751 0.79 KDM4E (0.41) PIM1KDM4EALOX12KMT2APLAU
SCHEMBL13313235 0.79 JAK2 (0.53) KDM4EKMT2AL3MBTL1CDK1CDK4
SCHEMBL3246319 0.78 KDM4E (0.46) KDM4EALOX12KMT2APLAUNCF1
SCHEMBL3246711 0.77 PIM1 (0.56) PIM1KDM4EALOX12KMT2APLAU
SCHEMBL31143762 0.75 MAP3K5 (0.54) KDM4EGAACDK2CYP1A2ALDH1A1
SCHEMBL8986816 0.75 MAP3K5 (0.54) KDM4EGAACDK2CYP1A2ALDH1A1
SCHEMBL1633147 0.74 CDK1 (0.53) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL1632161 0.72 CDK1 (0.59) PIM1CDK1CCNB1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1720238-B Neurologically-active compounds PRANA BIOTECHNOLOGY LTD 2011-08-03 CN disclosed
EP-2210892-A2 Neurologically-active compounds Prana Biotechnology Limited (AU) 2010-07-28 EP disclosed
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-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
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
EP-1558585-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2008-07-02 EP disclosed
US-20060167000-A1 Neurologically-active compounds PRANA BIOTECHNOLOGY LIMITED (AU) 2006-07-27 US disclosed
CN-1720238-A Neurologically-active compounds PRANA BIOTECHNOLOGY LTD (AU) 2006-01-11 CN disclosed
EP-1558585-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Prana Biotechnology Ltd (AU) 2005-08-03 EP disclosed
WO-2004031161-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2004-04-15 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-20060167000-A1 Neurologically-active compounds ACHE, PSEN1, PSEN2 PIM1 4126/4885KDM4E 3333/4885ALOX12 2319/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 PIM1 4152/4885KDM4E 3329/4885ALOX12 2286/4885

“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.