SCHEMBL8778494

SCHEMBL8778494

Cc1ccc(-c2ncc3ccccc3n2)nc1C#Cc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
CYP1A2 P05177 3/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
KCNH2 Q12809 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL8778549 0.86 GRM5 (0.38) GRM5CYP1A2
SCHEMBL8778467 0.83 GRM5 (0.37) GRM5CYP1A2ABL1BCRKCNH2
SCHEMBL8778498 0.83 USP1 (0.34) CYP1A2
SCHEMBL8766869 0.83 CYP1A2 (0.39) GRM5CYP1A2
SCHEMBL8778436 0.81 CYP1A2 (0.37) GRM5CYP1A2KCNH2
SCHEMBL8778503 0.81 GRM5 (0.41) GRM5CYP1A2ABL1BCRKCNH2
SCHEMBL8778441 0.79 CYP1A2 (0.38) CYP1A2
SCHEMBL8778539 0.79 GRM5 (0.37) GRM5CYP1A2
SCHEMBL3792267 0.77 CYP1A2 (0.36) GRM5CYP1A2
SCHEMBL8778435 0.77 NPC1 (0.41) CYP1A2KCNH2

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 GRM5 2204/4885CYP1A2 18/4885ABL1 37/4885

“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.