SCHEMBL13348656

SCHEMBL13348656

CCCCOc1nc(OC)nc2ccc(N)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.48
NCF1 P14598 7/20 0.38
TLR8 Q9NR97 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PIN1 Q13526 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL13348652 0.86 MAT2A (0.35) MCHR1TLR8NPC1RAB9AMEN1
SCHEMBL13348647 0.79 TLR8 (0.42) TLR8NPC1RAB9AMEN1MAPT
SCHEMBL13313393 0.78 L3MBTL1 (0.43) MCHR1TLR8CDK1CCNB1CCNA2
SCHEMBL13348657 0.76 KDM4E (0.32) TLR8MEN1MAPTKMT2ATLR7
SCHEMBL13348571 0.75 MCHR1 (0.51) MCHR1NCF1TLR8NPC1RAB9A
SCHEMBL13348675 0.68 CCNA2 (0.36) MCHR1TLR8CDK1CCNB1CCNA2
SCHEMBL14971486 0.68 PDE4B (0.40) MCHR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL826312 0.66 CDK1 (0.43) MCHR1TLR8NPC1RAB9ACDK1
SCHEMBL4113486 0.65 TLR8 (0.42) TLR8NPC1RAB9AMEN1MAPT
SCHEMBL4565142 0.65 DHFR (0.44) TLR8CDK1CCNB1CCNA2CDK2

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 2 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-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 MCHR1 3945/4885NCF1 2297/4885TLR8 4351/4885

“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.