SCHEMBL8779683

SCHEMBL8779683

Cc1nc(-c2cccc(C#Cc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53
KMT2A Q03164 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRM1 Q13255 1/20 0.53

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
SCHEMBL8779727 0.84 PDE10A (0.43) GRM5ALDH1A1RAB9ACYP1A2HPGD
SCHEMBL8779494 0.83 GRM5 (0.53) GRM5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8884919 0.76 PDE10A (0.62) ALDH1A1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL8778633 0.76 GRM5 (0.46) GRM5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8872433 0.74 PDE10A (0.49) ALDH1A1RAB9ACYP1A2HPGDMEN1
SCHEMBL9029385 0.73 GRM5 (0.62) GRM5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14733012 0.71 PDE10A (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8779483 0.71 CYP1A2 (0.45) GRM5ALDH1A1CYP1A2HPGDKDM4E
SCHEMBL8779392 0.70 PDE10A (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL103061 0.70 GRM5 (1.00) GRM5ALDH1A1NPC1RAB9ASMN1; 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 1 patent. 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

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 2204/4885ALDH1A1 1125/4885NPC1 346/4885

“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.