SCHEMBL8778766

SCHEMBL8778766

c1cc(-c2ncc3ccccc3n2)nc(C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
IDH1 O75874 2/20 0.40
TGFBR1 P36897 3/20 0.36
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
POLB P06746 1/20 0.34
PDE10A Q9Y233 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GPR3 P46089 1/20 0.33
EGFR P00533 1/20 0.33
IDO1 P14902 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL8778809 0.93 L3MBTL1 (0.40) CYP1A2IDH1TRPM8
SCHEMBL3784385 0.79 RAB9A (0.55) CYP1A2IDO1
SCHEMBL8778679 0.77 CYP1A2 (0.40) CYP1A2HTR3AHRH4PDE10A
SCHEMBL3788203 0.76 CYP1A2 (0.45) CYP1A2TGFBR1HTR3AHRH4KDM4E
SCHEMBL8778674 0.76 CCR1 (0.50) CYP1A2TGFBR1
SCHEMBL3787346 0.76 CYP1A2 (0.45) CYP1A2IDH1TGFBR1HTR3AHRH4
SCHEMBL8776105 0.75 CYP1A2 (0.42) CYP1A2HTR3AHRH4PDE10AKDM4E
SCHEMBL8775946 0.75 CYP1A2 (0.44) CYP1A2HTR3AHRH4PDE10AKDM4E
SCHEMBL8775074 0.75 CYP1A2 (0.53) CYP1A2TGFBR1KDM4EGPR3
SCHEMBL8872433 0.75 PDE10A (0.49) CYP1A2IDH1TGFBR1POLBPDE10A

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 4 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
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 18/4885IDH1 613/4885TGFBR1 4030/4885

“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.