SCHEMBL8865669

SCHEMBL8865669

Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1ccccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 4/20 0.34
LTA4H P09960 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
RECQL P46063 1/20 0.34
USP1 O94782 7/20 0.34
WDR48 Q8TAF3 7/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
GALR3 O60755 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
SCHEMBL8778361 0.86 CYP1A2 (0.39) ARCYP1A2LTA4HCYP2D6CYP2C19
SCHEMBL8778331 0.85 RXFP1 (0.37) ARCYP1A2ALDH1A1HDAC6
SCHEMBL8778358 0.84 PDE9A (0.36) CYP1A2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3781985 0.83 AR (0.36) ARCYP1A2
SCHEMBL8778454 0.82 CYP1A2 (0.36) ARCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL8778324 0.82 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C19ALDH1A1CYP3A4
SCHEMBL8778367 0.82 USP1 (0.38) CYP1A2LTA4HUSP1WDR48
SCHEMBL8778396 0.81 LMNA (0.38) ARTDP1CYP1A2CYP2D6CYP2C19
SCHEMBL8778433 0.80 CYP1A2 (0.36) CYP1A2
SCHEMBL8778000 0.80 USP1 (0.40) TDP1LTA4HUSP1WDR48TLR8

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 3 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
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 AR 3869/4885TDP1 1445/4885CYP1A2 18/4885

“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.