SCHEMBL8776441

SCHEMBL8776441

Cc1cc(C)c(-c2nc(-c3ncc4ccccc4n3)ccc2C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.40
AR P10275 1/20 0.37
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 2/20 0.33
KDR P35968 2/20 0.32
LCK P06239 1/20 0.32
JAK3 P52333 1/20 0.32
MAPK14 Q16539 1/20 0.32
PSMB5 P28074 1/20 0.32
MBNL1 Q9NR56 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8776452 0.89 CYP1A2 (0.41) CYP1A2ARPDE10ANPC1TDP1
SCHEMBL3788033 0.86 CYP1A2 (0.46) CYP1A2ARPDE10ANPC1TDP1
SCHEMBL8777210 0.86 CYP1A2 (0.36) CYP1A2ARPDE10ANPC1KDR
SCHEMBL8776597 0.84 CYP1A2 (0.39) CYP1A2ARPDE10ANPC1TDP1
SCHEMBL8775777 0.83 CYP1A2 (0.41) CYP1A2ARPDE10ATDP1CYP2A6
SCHEMBL8776451 0.83 CYP1A2 (0.40) CYP1A2ARPDE10ANPC1KDR
SCHEMBL8777080 0.83 CYP1A2 (0.48) CYP1A2PDE10ANPC1CYP2A6KDR
SCHEMBL8777078 0.83 MBNL1 (0.40) CYP1A2ARPDE10ANPC1TDP1
SCHEMBL8776881 0.82 CYP1A2 (0.50) CYP1A2PDE10ANPC1TDP1KDM4E
SCHEMBL8776938 0.82 PDE10A (0.51) CYP1A2PDE10ANPC1TDP1KDR

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 CYP1A2 18/4885AR 3869/4885PDE10A 1335/4885

“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.