SCHEMBL1725141

SCHEMBL1725141

Cc1ccc2nc(O)nc(O)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
METAP2 P50579 1/20 0.42
KMT2A Q03164 2/20 0.41
OPRK1 P41145 1/20 0.41
MAPT P10636 4/20 0.38
PARP1 P09874 1/20 0.37
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL13313394 0.77 RAB9A (0.39) RAB9ACCR1CCR5METAP2KMT2A
SCHEMBL25256571 0.75 NQO2 (0.32) ACHE
SCHEMBL31306814 0.75 NQO2 (0.32) ACHE
SCHEMBL24108931 0.74 KDM4E (0.41) RAB9ACCR1CCR5METAP2KMT2A
SCHEMBL13313389 0.73 CCR1 (0.43) RAB9ACCR1CCR5METAP2KMT2A
SCHEMBL13348690 0.69 MAP4K4 (0.33)
SCHEMBL1793376 0.67 MEN1 (0.41) RAB9AKMT2AMAPTPARP1CYP1A2
SCHEMBL3705881 0.67 MMP2 (0.45) RAB9ACCR1CCR5METAP2KMT2A
SCHEMBL13313403 0.67 CCR1 (0.50) RAB9ACCR1CCR5METAP2KMT2A
SCHEMBL30308911 0.67 MMP2 (0.45) RAB9ACCR1CCR5METAP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403833-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO 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

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 RAB9A 684/4885CCR1 4660/4885CCR5 4645/4885

“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.