SCHEMBL8778358

SCHEMBL8778358

Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
ALPL P05186 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.33
RIPK1 Q13546 1/20 0.33
MCHR1 Q99705 4/20 0.33
ADRA2A P08913 3/20 0.33
NPY5R Q15761 3/20 0.33
HSD17B13 Q7Z5P4 1/20 0.32
P2RX7 Q99572 1/20 0.32
EPHX2 P34913 1/20 0.32
DRD2 P14416 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ALOX5AP P20292 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
SCHEMBL8778396 0.87 LMNA (0.38) CYP1A2
SCHEMBL8865669 0.84 AR (0.36) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL8778361 0.83 CYP1A2 (0.39) CYP1A2
SCHEMBL8778331 0.82 RXFP1 (0.37) HDAC6CYP1A2
SCHEMBL3781985 0.80 AR (0.36) CYP1A2PHF8
SCHEMBL8778454 0.80 CYP1A2 (0.36) CYP1A2
SCHEMBL8778324 0.80 CYP1A2 (0.40) CYP1A2ADRA2A
SCHEMBL8778433 0.78 CYP1A2 (0.36) CYP1A2
SCHEMBL8778367 0.77 USP1 (0.38) CYP1A2
SCHEMBL8778460 0.77 PTPN11 (0.36) CYP1A2P2RX7

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 PDE9A 887/4885PDE1A 2115/4885PDE1B 2275/4885

“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.