SCHEMBL8776809

SCHEMBL8776809

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cc(F)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.38
MBNL1 Q9NR56 1/20 0.38
NPC1 O15118 1/20 0.36
ABL1 P00519 5/20 0.36
CYP1A2 P05177 2/20 0.35
CHEK1 O14757 4/20 0.35
MAPK1 P28482 2/20 0.35
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.35
RET P07949 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MERTK Q12866 1/20 0.35
ERBB4 Q15303 1/20 0.35

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
SCHEMBL8777064 0.92 MBNL1 (0.39) CHEK2MBNL1ABL1CYP1A2MAPK1
SCHEMBL8776610 0.91 MBNL1 (0.41) MBNL1ABL1CYP1A2PDE2APDE10A
SCHEMBL8776465 0.88 MBNL1 (0.45) MBNL1NPC1ABL1CYP1A2PDE2A
SCHEMBL8776542 0.87 MBNL1 (0.40) MBNL1NPC1ABL1CYP1A2MAPT
SCHEMBL8777019 0.86 MBNL1 (0.45) MBNL1NPC1ABL1CYP1A2KDM4E
SCHEMBL8776603 0.86 CYP1A2 (0.40) MBNL1CYP1A2MAPTKDM4EALDH1A1
SCHEMBL8776454 0.84 MAOA (0.42) MBNL1NPC1ABL1CYP1A2MAPK1
SCHEMBL8776777 0.83 MBNL1 (0.41) MBNL1NPC1ABL1CYP1A2AR
SCHEMBL8776686 0.82 MAOA (0.40) MBNL1NPC1ABL1MAPTKDM4E
SCHEMBL8776103 0.82 NPC1 (0.40) CHEK2NPC1CYP1A2CHEK1MAPK1

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 CHEK2 2982/4885MBNL1 4381/4885NPC1 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.