SCHEMBL8777323

SCHEMBL8777323

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.42
MAP4K4 O95819 2/20 0.41
PDE10A Q9Y233 2/20 0.40
GLA P06280 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
RAD51 Q06609 1/20 0.39
TYRO3 Q06418 1/20 0.38
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL8777303 0.88 PDE10A (0.46) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL8776966 0.88 PDE10A (0.46) RAB9AMAPTMEN1KMT2ACYP1A2
SCHEMBL9607582 0.86 CYP1A2 (0.48) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL8776938 0.86 PDE10A (0.51) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL8776852 0.85 CYP1A2 (0.42) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL8776955 0.85 CYP1A2 (0.42) ALDH1A1CYP1A2MAP4K4PDE10ATSHR
SCHEMBL8777123 0.85 PDE10A (0.44) CYP1A2PDE10A
SCHEMBL9607586 0.85 NOS3 (0.40) NPC1CYP1A2PDE10A
SCHEMBL3788033 0.85 CYP1A2 (0.46) NPC1CYP1A2PDE10A
SCHEMBL8776481 0.85 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1MAPT

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 NPC1 346/4885RAB9A 814/4885KDM4E 1794/4885

“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.