SCHEMBL3787482

SCHEMBL3787482

Cc1ccc2nc(-c3cccc(Cc4ccccc4)n3)ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.38
BRD4 O60885 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
PSMB5 P28074 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8778044 0.85 CYP2C19 (0.38) NPSR1KDM4EMAPTMEN1KMT2A
SCHEMBL8777888 0.85 SMN1; SMN2 (0.40) NPSR1MAPTBRD4MEN1KMT2A
SCHEMBL29368748 0.84 CYP1A2 (0.40) GAABRD4MEN1KMT2ANPC1
SCHEMBL3787262 0.84 CYP1A2 (0.40) GAABRD4MEN1KMT2ANPC1
SCHEMBL8778312 0.78 TNF (0.38) NPSR1MAPTMEN1KMT2ANPC1
SCHEMBL8778192 0.78 CYP1A2 (0.36) NPSR1GAAMAPTMEN1KMT2A
SCHEMBL8778305 0.75 CYP1A2 (0.37) NPSR1MAPTMEN1KMT2AL3MBTL1
SCHEMBL8777914 0.75 KDM4E (0.39) KDM4EMAPTMEN1KMT2AMAOB
SCHEMBL8777964 0.75 MAPT (0.47) NPSR1RXFP1MAPTBRD4MEN1
SCHEMBL9607508 0.74 L3MBTL1 (0.46) KDM4EGAAMAPTMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO claimed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US claimed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO claimed
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
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 NPSR1 2164/4885KDM4E 1794/4885GAA 693/4885

“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.