SCHEMBL8779320

SCHEMBL8779320

COc1nc(-c2cccc(-c3ccccc3)n2)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 1/20 0.63
VDR P11473 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2B6 P20813 1/20 0.63
AHR P35869 1/20 0.63
MAPT P10636 8/20 0.60
POLB P06746 2/20 0.55
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
CYP2C19 P33261 1/20 0.51
ATM Q13315 1/20 0.50
LMNA P02545 3/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48

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
SCHEMBL1083965 0.84 MAPT (0.81) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL31529342 0.84 MAPT (0.81) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8883366 0.83 MAPT (0.51) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8779634 0.80 CYP1A2 (0.51) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8884919 0.80 PDE10A (0.62) NR1I3CYP1A2MAPTALDH1A1NPSR1
SCHEMBL3787489 0.79 MAPT (0.50) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8779494 0.78 GRM5 (0.53) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8779718 0.77 NR1I3 (0.48) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8779369 0.76 MEN1 (0.53) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL23743253 0.75 MAPT (0.72) NR1I3CYP1A2CYP3A4VDRCYP2C9

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 2 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

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 NR1I3 1258/4885CYP1A2 18/4885CYP3A4 22/4885

“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.