SCHEMBL8778786

SCHEMBL8778786

BrCc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 2/20 0.33
GPR3 P46089 1/20 0.33
EGFR P00533 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CCR1 P32246 1/20 0.32
NPC1 O15118 4/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
LMNA P02545 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
SCHEMBL14732960 0.88 CYP1A2 (0.42) CYP1A2KDM4EGPR3EGFRPDE10A
SCHEMBL3787262 0.82 CYP1A2 (0.40) CYP1A2PCSK9NPC1RAB9ASMN1; SMN2
SCHEMBL8778676 0.82 CYP1A2 (0.42) CYP1A2KDM4EPDE10APCSK9HTR3A
SCHEMBL29368748 0.82 CYP1A2 (0.40) CYP1A2PCSK9NPC1RAB9ASMN1; SMN2
SCHEMBL8778810 0.81 CYP1A2 (0.41) CYP1A2KDM4EGPR3EGFRPDE10A
SCHEMBL8882698 0.81 CYP1A2 (0.41) CYP1A2PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL8778773 0.81 CYP1A2 (0.41) CYP1A2KDM4EGPR3EGFRPCSK9
SCHEMBL8778771 0.81 CYP1A2 (0.41) CYP1A2PDE10APCSK9HTR3AHRH4
SCHEMBL8778874 0.81 KCNH2 (0.53) CYP1A2PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL14732929 0.79 CCR1 (0.41) CYP1A2CCR1IRAK4

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 18/4885KDM4E 1794/4885GPR3 3610/4885

“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.