SCHEMBL8778436

SCHEMBL8778436

Cc1ccc(C#Cc2nc(-c3ncc4ccccc4n3)ccc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.37
GRM5 P41594 4/20 0.35
TTR P02766 1/20 0.33
ADORA2A P29274 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
PPP1CA P62136 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
XBP1 P17861 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
KLF5 Q13887 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
SCHEMBL8766869 0.92 CYP1A2 (0.39) CYP1A2GRM5TTRADORA2AALDH1A1
SCHEMBL8778539 0.90 GRM5 (0.37) CYP1A2GRM5TTRALDH1A1MAPT
SCHEMBL8778467 0.90 GRM5 (0.37) CYP1A2GRM5TTRGAAMAPT
SCHEMBL8778435 0.88 NPC1 (0.41) CYP1A2ALDH1A1GAAMAPTHTT
SCHEMBL8778593 0.87 LCK (0.36) CYP1A2GRM5
SCHEMBL8778578 0.82 NPC1 (0.35) CYP1A2GRM5TTRALDH1A1SMN1; SMN2
SCHEMBL8778503 0.82 GRM5 (0.41) CYP1A2GRM5ALDH1A1MAPTPPP1CA
SCHEMBL8778453 0.82 GRM5 (0.46) CYP1A2GRM5
SCHEMBL8778441 0.81 CYP1A2 (0.38) CYP1A2NPC1
SCHEMBL8778475 0.81 GRM5 (0.44) GRM5MAPTHTTSMN1; SMN2

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 18/4885GRM5 2204/4885TTR 3896/4885

“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.