SCHEMBL8777080

SCHEMBL8777080

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.48
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
CTRC Q99895 1/20 0.36
CYP11B1 P15538 1/20 0.35

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
SCHEMBL8776481 0.91 NPC1 (0.50) CYP1A2PDE10ANPC1RAB9AKDM4E
SCHEMBL8777221 0.91 NPC1 (0.47) CYP1A2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8777022 0.87 CYP1A2 (0.46) CYP1A2PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL8776564 0.87 CYP1A2 (0.46) CYP1A2PDE10ANPC1RAB9AMEN1
SCHEMBL8777140 0.86 CYP1A2 (0.50) CYP1A2PDE10ANPC1RAB9AKDM4E
SCHEMBL8776881 0.86 CYP1A2 (0.50) CYP1A2PDE10ANPC1RAB9AKDM4E
SCHEMBL8776938 0.86 PDE10A (0.51) CYP1A2PDE10ANPC1RAB9AKDM4E
SCHEMBL30129477 0.86 CYP1A2 (0.45) CYP1A2PDE10ANPC1RAB9AKDM4E
SCHEMBL8776635 0.86 CYP1A2 (0.45) CYP1A2PDE10ANPC1RAB9AKDM4E
SCHEMBL3789618 0.86 CYP1A2 (0.45) CYP1A2PDE10ANPC1RAB9AKDM4E

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 18/4885PDE10A 1335/4885NPC1 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.