SCHEMBL8777078

SCHEMBL8777078

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.40
CYP1A2 P05177 4/20 0.39
NPC1 O15118 4/20 0.35
AR P10275 4/20 0.34
MAP4K1 Q92918 2/20 0.34
HTR5A P47898 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR3A P46098 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL8776618 0.90 MAP4K1 (0.45) MAP4K1HTR5A
SCHEMBL8776452 0.88 CYP1A2 (0.41) CYP1A2NPC1ARTDP1PDE10A
SCHEMBL8776992 0.87 MBNL1 (0.56) MBNL1CYP1A2NPC1ARMAPT
SCHEMBL8776661 0.86 MBNL1 (0.46) MBNL1CYP1A2NPC1ARMAP4K1
SCHEMBL8777051 0.86 NPC1 (0.37) MBNL1CYP1A2NPC1KDM4ELMNA
SCHEMBL8776441 0.83 CYP1A2 (0.40) MBNL1CYP1A2NPC1ARKDM4E
SCHEMBL8777306 0.82 MEN1 (0.39) CYP1A2NPC1MAP4K1KDM4ELMNA
SCHEMBL8776676 0.82 MBNL1 (0.44) MBNL1CYP1A2NPC1ARMAPT
SCHEMBL8777022 0.82 CYP1A2 (0.46) MBNL1CYP1A2NPC1ARMAPT
SCHEMBL8776859 0.82 CYP1A2 (0.43) MBNL1CYP1A2NPC1ARRAB9A

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 MBNL1 4381/4885CYP1A2 18/4885NPC1 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.