SCHEMBL8776404

SCHEMBL8776404

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.46
AR P10275 2/20 0.39
ALDH1A1 P00352 4/20 0.37
MBNL1 Q9NR56 1/20 0.37
KDM4E B2RXH2 2/20 0.36
BCHE P06276 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 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
SCHEMBL8777141 0.91 CYP1A2 (0.47) CYP1A2ARALDH1A1MBNL1KDM4E
SCHEMBL3789674 0.88 PDE10A (0.44) CYP1A2ARALDH1A1MBNL1HPGD
SCHEMBL8776607 0.87 CYP1A2 (0.40) CYP1A2ARALDH1A1MBNL1NPC1
SCHEMBL8776865 0.86 CYP1A2 (0.39) CYP1A2ARALDH1A1MBNL1KDM4E
SCHEMBL8777346 0.86 CYP1A2 (0.45) CYP1A2ARALDH1A1MBNL1KDM4E
SCHEMBL8777068 0.84 CYP1A2 (0.40) CYP1A2ARALDH1A1MBNL1KDM4E
SCHEMBL8776645 0.84 CYP1A2 (0.40) CYP1A2ARMBNL1NPC1RAB9A
SCHEMBL8776915 0.84 CYP1A2 (0.42) CYP1A2ALDH1A1MBNL1KDM4ENPC1
SCHEMBL8776992 0.84 MBNL1 (0.56) CYP1A2ARALDH1A1MBNL1NPC1
SCHEMBL8776603 0.84 CYP1A2 (0.40) CYP1A2ALDH1A1MBNL1KDM4EHPGD

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 18/4885AR 3869/4885ALDH1A1 1125/4885

“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.