SCHEMBL3789618

SCHEMBL3789618

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.45
PDE10A Q9Y233 4/20 0.38
TOP1 P11387 1/20 0.38
NPC1 O15118 2/20 0.37
MBNL1 Q9NR56 1/20 0.37
PDE2A O00408 1/20 0.36
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PDK1 Q15118 1/20 0.34
TGFBR1 P36897 2/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 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
SCHEMBL30129477 1.00 CYP1A2 (0.45) CYP1A2PDE10ATOP1NPC1MBNL1
SCHEMBL8777022 0.94 CYP1A2 (0.46) CYP1A2PDE10ANPC1MBNL1PDE2A
SCHEMBL3785988 0.93 CYP1A2 (0.45) CYP1A2PDE10ANPC1MBNL1MEN1
SCHEMBL8776995 0.90 CYP1A2 (0.42) CYP1A2PDE10ANPC1MBNL1MEN1
SCHEMBL8776859 0.89 CYP1A2 (0.43) CYP1A2PDE10ANPC1MBNL1PDE2A
SCHEMBL3785974 0.88 ALDH1A1 (0.46) CYP1A2PDE10ANPC1ALDH1A1MEN1
SCHEMBL29360950 0.88 ALDH1A1 (0.46) CYP1A2PDE10ANPC1ALDH1A1MEN1
SCHEMBL8776481 0.87 NPC1 (0.50) CYP1A2PDE10ANPC1ALDH1A1MEN1
SCHEMBL8777014 0.87 CYP1A2 (0.40) CYP1A2PDE10ANPC1MBNL1PDE2A
SCHEMBL8776564 0.86 CYP1A2 (0.46) CYP1A2PDE10ANPC1PDE2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO claimed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US claimed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO claimed
CN-115484825-A Phenyl compound and method for controlling plant disease 住友化学株式会社 2022-12-16 CN disclosed
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO 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
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
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 1335/4885TOP1 345/4885

“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.