SCHEMBL8779494

SCHEMBL8779494

COc1nc(-c2cccc(C#Cc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.53
KCNH2 Q12809 2/20 0.53
CYP1A2 P05177 3/20 0.49
NR1I3 Q14994 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
VDR P11473 1/20 0.49
CYP2B6 P20813 1/20 0.49
AHR P35869 1/20 0.49
MAPT P10636 7/20 0.49
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL8779483 0.83 CYP1A2 (0.45) GRM5KCNH2CYP1A2NR1I3CYP3A4
SCHEMBL8779683 0.83 GRM5 (0.53) GRM5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL8779320 0.78 NR1I3 (0.63) CYP1A2NR1I3CYP3A4CYP2C9VDR
SCHEMBL8883366 0.74 MAPT (0.51) CYP1A2NR1I3CYP3A4CYP2C9VDR
SCHEMBL8778633 0.73 GRM5 (0.46) GRM5KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL3787489 0.73 MAPT (0.50) CYP1A2NR1I3CYP3A4CYP2C9VDR
SCHEMBL8779634 0.71 CYP1A2 (0.51) CYP1A2NR1I3CYP3A4CYP2C9VDR
SCHEMBL31529342 0.71 MAPT (0.81) CYP1A2NR1I3CYP3A4CYP2C9VDR
SCHEMBL1083965 0.71 MAPT (0.81) CYP1A2NR1I3CYP3A4CYP2C9VDR
SCHEMBL15877712 0.70 GRM5 (1.00) GRM5KCNH2CYP1A2CYP3A4CYP2C9

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
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

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 2204/4885KCNH2 767/4885CYP1A2 18/4885

“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.