SCHEMBL8776904

SCHEMBL8776904

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
ATR Q13535 1/20 0.36
MBNL1 Q9NR56 1/20 0.35
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA1 P14867 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
PDE10A Q9Y233 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MET P08581 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGES O14684 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
SCHEMBL3789674 0.84 PDE10A (0.44) CYP1A2MBNL1TSHRALDH1A1PDE10A
SCHEMBL8776915 0.81 CYP1A2 (0.42) CYP1A2MBNL1KDM4EALDH1A1PDE10A
SCHEMBL8776603 0.81 CYP1A2 (0.40) CYP1A2MBNL1TSHRGAAKDM4E
SCHEMBL8776689 0.81 ALDH1A1 (0.43) CYP1A2MBNL1TSHRGAAKDM4E
SCHEMBL8776404 0.81 CYP1A2 (0.46) CYP1A2MBNL1TSHRKDM4EALDH1A1
SCHEMBL8776645 0.81 CYP1A2 (0.40) CYP1A2ATRMBNL1PDE10AL3MBTL1
SCHEMBL8776992 0.81 MBNL1 (0.56) CYP1A2MBNL1GAAALDH1A1PDE10A
SCHEMBL8777068 0.81 CYP1A2 (0.40) CYP1A2ATRMBNL1GAAKDM4E
SCHEMBL8776607 0.81 CYP1A2 (0.40) CYP1A2MBNL1TSHRALDH1A1PDE10A
SCHEMBL8775667 0.81 GABRG2 (0.44) CYP1A2ATRGAAKDM4EALDH1A1

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 18/4885ATR 1639/4885MBNL1 4381/4885

“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.