SCHEMBL8778874

SCHEMBL8778874

c1ccc(CCc2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
CYP1A2 P05177 4/20 0.39
KMT2A Q03164 2/20 0.38
JAK2 O60674 1/20 0.38
METAP1 P53582 1/20 0.38
PPP1CA P62136 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 2/20 0.37
PDE10A Q9Y233 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS1 P29475 1/20 0.35
CYP2D6 P10635 1/20 0.35
BACE1 P56817 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34

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
SCHEMBL3787262 0.87 CYP1A2 (0.40) KCNH2CYP1A2KMT2AJAK2METAP1
SCHEMBL29368748 0.87 CYP1A2 (0.40) KCNH2CYP1A2KMT2AJAK2METAP1
SCHEMBL14732960 0.87 CYP1A2 (0.42) KCNH2CYP1A2L3MBTL1PDE10A
SCHEMBL8778676 0.84 CYP1A2 (0.42) KCNH2CYP1A2KMT2APDE10ANPC1
SCHEMBL8778786 0.81 CYP1A2 (0.42) CYP1A2KMT2AJAK2PDE10ANPC1
SCHEMBL14732929 0.79 CCR1 (0.41) CYP1A2
SCHEMBL8777914 0.78 KDM4E (0.39) CYP1A2KMT2AMEN1PDE5A
SCHEMBL8778044 0.78 CYP2C19 (0.38) CYP1A2KMT2ATDP1L3MBTL1CYP2D6
SCHEMBL8882698 0.77 CYP1A2 (0.41) KCNH2CYP1A2PDE10A
SCHEMBL8778771 0.77 CYP1A2 (0.41) CYP1A2KMT2APDE10ANPC1RAB9A

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 KCNH2 767/4885CYP1A2 18/4885KMT2A 2145/4885

“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.