SCHEMBL8777022

SCHEMBL8777022

Cc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
PDE10A Q9Y233 4/20 0.39
NPC1 O15118 3/20 0.38
MBNL1 Q9NR56 1/20 0.38
KMO O15229 2/20 0.36
PDE2A O00408 1/20 0.36
GRIN2B Q13224 1/20 0.35
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
SRC P12931 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
SCHEMBL3789618 0.94 CYP1A2 (0.45) CYP1A2PDE10ANPC1MBNL1PDE2A
SCHEMBL30129477 0.94 CYP1A2 (0.45) CYP1A2PDE10ANPC1MBNL1PDE2A
SCHEMBL3785988 0.91 CYP1A2 (0.45) CYP1A2PDE10ANPC1MBNL1GRIN2B
SCHEMBL8776859 0.90 CYP1A2 (0.43) CYP1A2PDE10ANPC1MBNL1PDE2A
SCHEMBL8776955 0.89 CYP1A2 (0.42) CYP1A2PDE10A
SCHEMBL3793053 0.89 CYP1A2 (0.44) CYP1A2PDE10ANPC1MBNL1AR
SCHEMBL3785974 0.89 ALDH1A1 (0.46) CYP1A2PDE10ANPC1MEN1MAPT
SCHEMBL29360950 0.89 ALDH1A1 (0.46) CYP1A2PDE10ANPC1MEN1MAPT
SCHEMBL8776481 0.88 NPC1 (0.50) CYP1A2PDE10ANPC1MEN1MAPT
SCHEMBL8776995 0.88 CYP1A2 (0.42) CYP1A2PDE10ANPC1MBNL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
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 18/4885PDE10A 1335/4885NPC1 346/4885

“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.