SCHEMBL8778441

SCHEMBL8778441

Cc1ccc(-c2ncc3ccccc3n2)nc1C#CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
NPC1 O15118 1/20 0.31
HTR3A P46098 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL8766869 0.83 CYP1A2 (0.39) CYP1A2NPC1
SCHEMBL8778436 0.81 CYP1A2 (0.37) CYP1A2NPC1
SCHEMBL3792267 0.80 CYP1A2 (0.36) CYP1A2HTR3AHRH4
SCHEMBL8778539 0.79 GRM5 (0.37) CYP1A2
SCHEMBL8778549 0.79 GRM5 (0.38) CYP1A2NPC1
SCHEMBL8778526 0.79 CYP1A2 (0.36) CYP1A2
SCHEMBL8778467 0.79 GRM5 (0.37) CYP1A2NPC1
SCHEMBL8778494 0.79 GRM5 (0.39) CYP1A2
SCHEMBL8778593 0.79 LCK (0.36) CYP1A2
SCHEMBL8778498 0.79 USP1 (0.34) 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 CYP1A2 18/4885NPC1 346/4885HTR3A 2680/4885

“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.