SCHEMBL8776971

SCHEMBL8776971

COc1cccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
CYP1A2 P05177 7/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2B6 P20813 2/20 0.48
AHR P35869 2/20 0.48
NR1I3 Q14994 2/20 0.48
VDR P11473 1/20 0.48
CYP2D6 P10635 6/20 0.46
USP2 O75604 3/20 0.46
MAPK1 P28482 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ADORA2A P29274 2/20 0.44
MAPT P10636 3/20 0.44
ATM Q13315 1/20 0.44
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8777221 0.90 NPC1 (0.47) CYP1A2CYP3A4CYP2C9CYP2B6CYP2D6
SCHEMBL8776408 0.89 PDE10A (0.43) PDE10ACYP1A2MAPK1HSD17B10MAPT
SCHEMBL8776948 0.87 NPC1 (0.51) PDE10ACYP1A2ADORA2AMAPTNFKB1
SCHEMBL8776966 0.85 PDE10A (0.46) PDE10ACYP1A2NR1I3MAPTRAB9A
SCHEMBL8777303 0.85 PDE10A (0.46) PDE10ACYP1A2NR1I3CLK4MAPT
SCHEMBL8779400 0.85 NPC1 (0.50) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL8777080 0.84 CYP1A2 (0.48) PDE10ACYP1A2ADORA2ANFKB1RAB9A
SCHEMBL8775416 0.84 CYP1A2 (0.50) PDE10ACYP1A2CYP3A4CYP2C9CYP2B6
SCHEMBL3791644 0.84 CRHR1 (0.43) PDE10ACYP1A2CYP3A4CYP2C9CYP2B6
SCHEMBL8776495 0.84 SMN1; SMN2 (0.54) CYP1A2MAPTRAB9ASMN1; SMN2ABCB1

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
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 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 (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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 PDE10A 1335/4885CYP1A2 18/4885CYP3A4 22/4885

“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.