SCHEMBL8776078

SCHEMBL8776078

CC(C)c1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
PIP4K2C Q8TBX8 3/20 0.38
USP1 O94782 12/20 0.37
WDR48 Q8TAF3 8/20 0.37
ATR Q13535 1/20 0.36
PIP4K2A P48426 1/20 0.35

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
SCHEMBL8776670 0.82 PIP4K2C (0.38) CYP1A2PIP4K2CUSP1WDR48ATR
SCHEMBL8775528 0.81 CYP1A2 (0.44) CYP1A2
SCHEMBL3629047 0.80 GABRA1 (0.43) CYP1A2USP1WDR48ATR
SCHEMBL8775074 0.80 CYP1A2 (0.53) CYP1A2
SCHEMBL8775218 0.79 CYP1A2 (0.42) CYP1A2
SCHEMBL8775908 0.78 HPGD (0.44) CYP1A2
SCHEMBL8775741 0.78 CYP1A2 (0.44) CYP1A2
SCHEMBL8775521 0.78 CYP1A2 (0.44) CYP1A2ATR
SCHEMBL8776344 0.78 CYP1A2 (0.44) CYP1A2
SCHEMBL8775659 0.78 NPC1 (0.52) CYP1A2

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 18/4885PIP4K2C 718/4885USP1 2963/4885

“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.