SCHEMBL8776670

SCHEMBL8776670

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 3/20 0.38
CYP1A2 P05177 2/20 0.38
USP1 O94782 12/20 0.38
WDR48 Q8TAF3 10/20 0.38
ATR Q13535 1/20 0.36
MBNL1 Q9NR56 1/20 0.35
DHFR P00374 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
SCHEMBL3789674 0.85 PDE10A (0.44) CYP1A2MBNL1
SCHEMBL8776645 0.82 CYP1A2 (0.40) CYP1A2ATRMBNL1
SCHEMBL8776603 0.82 CYP1A2 (0.40) CYP1A2MBNL1
SCHEMBL8776689 0.82 ALDH1A1 (0.43) CYP1A2MBNL1
SCHEMBL8777068 0.82 CYP1A2 (0.40) CYP1A2ATRMBNL1
SCHEMBL8776992 0.82 MBNL1 (0.56) CYP1A2MBNL1
SCHEMBL8776404 0.82 CYP1A2 (0.46) CYP1A2MBNL1
SCHEMBL8776607 0.82 CYP1A2 (0.40) CYP1A2MBNL1
SCHEMBL8776915 0.82 CYP1A2 (0.42) CYP1A2MBNL1
SCHEMBL8776078 0.82 CYP1A2 (0.41) PIP4K2CCYP1A2USP1WDR48ATR

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 PIP4K2C 718/4885CYP1A2 18/4885USP1 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.