SCHEMBL3243131

SCHEMBL3243131

Cc1nc(-c2ccccc2)c2cccc(O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
TNKS O95271 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
CYP1A2 P05177 3/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CCR6 P51684 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL23946283 0.81 CRHR1 (0.47) KDM4ECYP2C9CYP3A4L3MBTL1NTRK1
SCHEMBL23946247 0.79 CRHR1 (0.42) KDM4ECYP2C9CYP3A4MAPTL3MBTL1
SCHEMBL23946331 0.79 DHODH (0.45) KDM4ECYP2C9CYP3A4L3MBTL1NTRK1
SCHEMBL19169192 0.78 MAOA (0.46) CYP1A2KDM4ECYP3A4MAPTL3MBTL1
SCHEMBL3664754 0.78 ESR1 (0.50) PARP1ESR1L3MBTL1NUDT1
SCHEMBL3242174 0.77 PARP1 (0.47) PARP1TNKSTNKS2CYP1A2ESR1
SCHEMBL7011032 0.77 PARP1 (0.50) PARP1TNKSTNKS2CYP1A2KDM4E
SCHEMBL23946251 0.76 CRHR1 (0.43) KDM4ECYP2C9CYP3A4MAPTL3MBTL1
SCHEMBL19169646 0.75 MAOA (0.44) CYP1A2KDM4ECYP2C19CYP3A4MAPT
SCHEMBL1773091 0.74 NUDT1 (0.60) KDM4EKMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558585-B1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2013-09-25 EP disclosed
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-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 PARP1 2866/4885TNKS 2509/4885TNKS2 2610/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 PARP1 3308/4885TNKS 2808/4885TNKS2 2694/4885

“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.