SCHEMBL3787489

SCHEMBL3787489

COc1nc(-c2cccc(Cc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
NR1I3 Q14994 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 1/20 0.50
VDR P11473 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
AHR P35869 1/20 0.50
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.44
PDE5A O76074 1/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL8779574 0.92 MAPK1 (0.62) MAPTNR1I3CYP1A2CYP3A4VDR
SCHEMBL8779414 0.87 MEN1 (0.54) MAPTCYP1A2ALDH1A1KDM4ENPSR1
SCHEMBL8779415 0.87 MAPT (0.53) MAPTNR1I3CYP1A2CYP3A4VDR
SCHEMBL8779416 0.87 PDE5A (0.45) MAPTCYP1A2ALDH1A1KDM4ENPSR1
SCHEMBL8779425 0.85 GAA (0.51) MAPTCYP1A2ALDH1A1KDM4ENPSR1
SCHEMBL8779392 0.82 PDE10A (0.46) CYP1A2ALDH1A1KDM4EHPGDGAA
SCHEMBL8779404 0.82 PDE5A (0.43) MAPTALDH1A1NPSR1HPGDGAA
SCHEMBL8779486 0.82 PDE5A (0.36) MAPTCYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL8779388 0.82 PDE5A (0.45) MAPTCYP1A2ALDH1A1NPSR1HPGD
SCHEMBL2414877 0.82 KMT2A (0.39) MAPTNR1I3CYP1A2CYP3A4VDR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO claimed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO claimed
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
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
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO 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 MAPT 3067/4885NR1I3 1258/4885CYP1A2 18/4885

“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.