SCHEMBL8777057

SCHEMBL8777057

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cccc(CC#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
ADORA2A P29274 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
MMP3 P08254 1/20 0.36
TGFBR1 P36897 1/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL8777273 0.88 CYP1A2 (0.42) CYP1A2KDM5BPIK3CDABL1EGFR
SCHEMBL9607586 0.86 NOS3 (0.40) CYP1A2ABL1PDE10A
SCHEMBL8776443 0.86 PDE10A (0.41) CYP1A2PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8776113 0.84 MMP3 (0.41) CYP1A2ADORA2AKDM5BMMP3TGFBR1
SCHEMBL8777291 0.84 CYP1A2 (0.46) CYP1A2ADORA2AABCG2PDE10A
SCHEMBL8777303 0.82 PDE10A (0.46) CYP1A2KDRPDE10A
SCHEMBL8776966 0.82 PDE10A (0.46) CYP1A2ABCB1ABCG2PDE10A
SCHEMBL8776938 0.80 PDE10A (0.51) CYP1A2KDRPDE10A
SCHEMBL8776852 0.80 CYP1A2 (0.42) CYP1A2PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8776955 0.80 CYP1A2 (0.42) CYP1A2ADORA2AABCG2PDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 18/4885ADORA2A 3887/4885KDM5B 1119/4885

“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.