SCHEMBL8778367

SCHEMBL8778367

Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.38
WDR48 Q8TAF3 2/20 0.38
SMO Q99835 3/20 0.36
ALKBH3 Q96Q83 1/20 0.35
CYP1A2 P05177 2/20 0.34
MBOAT4 Q96T53 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
APP P05067 1/20 0.33
LTA4H P09960 1/20 0.33
OPRK1 P41145 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL8778472 0.90 TNF (0.38) SMOALKBH3CYP1A2LMNAMAPT
SCHEMBL8871754 0.88 GPR52 (0.42) CYP1A2APPLTA4H
SCHEMBL8778366 0.87 CYP1A2 (0.38) CYP1A2CYP11B1CYP11B2LMNAMAPT
SCHEMBL3786388 0.87 CYP1A2 (0.40) CYP1A2LMNA
SCHEMBL8778423 0.85 LMNA (0.41) CYP1A2LMNAMAPT
SCHEMBL8865669 0.82 AR (0.36) USP1WDR48CYP1A2LTA4H
SCHEMBL8776961 0.80 CYP1A2 (0.45) CYP1A2
SCHEMBL8777811 0.80 USP1 (0.44) USP1WDR48CYP1A2APPLTA4H
SCHEMBL8778355 0.80 GBA1 (0.38) CYP1A2APPLMNAMAPT
SCHEMBL8778322 0.79 CYP1A2 (0.38) USP1WDR48CYP1A2CYP11B1CYP11B2

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 USP1 2963/4885WDR48 4477/4885SMO 4382/4885

“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.