SCHEMBL8778312

SCHEMBL8778312

Cc1ccc(Cc2cccc(-c3ncc4ccccc4n3)n2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
CYP1A2 P05177 6/20 0.36
GRIN2B Q13224 1/20 0.33
PDE10A Q9Y233 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAP3K7 O43318 1/20 0.32
MAP3K6 O95382 1/20 0.32
MAP3K5 Q99683 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
NQO2 P16083 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8778192 0.91 CYP1A2 (0.36) TNFCYP1A2PDE10AMEN1KMT2A
SCHEMBL3787877 0.88 CYP1A2 (0.39) CYP1A2MEN1KMT2AMAP3K7MAP3K6
SCHEMBL8778305 0.85 CYP1A2 (0.37) CYP1A2PDE10AMEN1KMT2AMAP3K7
SCHEMBL8778044 0.83 CYP2C19 (0.38) CYP1A2MEN1KMT2AMAPTNPSR1
SCHEMBL8777888 0.83 SMN1; SMN2 (0.40) CYP1A2MEN1KMT2AMAP3K7MAP3K6
SCHEMBL3789630 0.81 CYP1A2 (0.36) CYP1A2PDE10AMEN1KMT2AMAP3K7
SCHEMBL8778306 0.80 SMN1; SMN2 (0.46) CYP1A2MEN1KMT2AMAPTNPSR1
SCHEMBL8776023 0.79 MAPT (0.41) CYP1A2MEN1KMT2AADORA3ADORA2A
SCHEMBL3787482 0.78 NPSR1 (0.39) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL3787471 0.78 CYP1A2 (0.37) TNFCYP1A2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TNF 3852/4885CYP1A2 18/4885GRIN2B 2095/4885

“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.