SCHEMBL8778593

SCHEMBL8778593

Cc1ccc(-c2ncc3ccccc3n2)nc1C#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.36
KDR P35968 2/20 0.36
TEK Q02763 2/20 0.36
GRM5 P41594 7/20 0.35
CYP1A2 P05177 3/20 0.34
TRPV1 Q8NER1 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
BRAF P15056 1/20 0.31
TOP1 P11387 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
SCHEMBL8778539 0.87 GRM5 (0.37) GRM5CYP1A2
SCHEMBL8778436 0.87 CYP1A2 (0.37) GRM5CYP1A2
SCHEMBL8766869 0.87 CYP1A2 (0.39) GRM5CYP1A2
SCHEMBL8778467 0.85 GRM5 (0.37) GRM5CYP1A2
SCHEMBL8778435 0.83 NPC1 (0.41) CYP1A2
SCHEMBL8778498 0.82 USP1 (0.34) LCKKDRTEKCYP1A2USP1
SCHEMBL8778453 0.80 GRM5 (0.46) GRM5CYP1A2
SCHEMBL3786750 0.79 USP1 (0.38) GRM5CYP1A2USP1WDR48
SCHEMBL8776961 0.79 CYP1A2 (0.45) CYP1A2TRPV1TOP1
SCHEMBL8778441 0.79 CYP1A2 (0.38) CYP1A2

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 LCK 1854/4885KDR 4656/4885TEK 4235/4885

“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.