SCHEMBL8777041

SCHEMBL8777041

CC(=O)Nc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
HPGD P15428 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAP3K5 Q99683 1/20 0.46
POLB P06746 2/20 0.43
PRNP P04156 1/20 0.43
GAA P10253 1/20 0.43
PDE10A Q9Y233 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.41
ATR Q13535 1/20 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
SCHEMBL8777251 0.86 PDE10A (0.48) KDM4EALDH1A1MAPTPDE10ARAB9A
SCHEMBL8868088 0.84 KMT2A (0.53) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8777073 0.83 MAPT (0.45) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8777229 0.82 CYP1A2 (0.48) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8777140 0.82 CYP1A2 (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8776881 0.82 CYP1A2 (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8776938 0.82 PDE10A (0.51) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8776930 0.80 CYP1A2 (0.48) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8776954 0.80 CYP1A2 (0.48) MAPTPOLBPDE10ANPC1CYP1A2
SCHEMBL9607582 0.80 CYP1A2 (0.48) KMT2AMEN1KDM4EALDH1A1MAPT

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 KMT2A 2145/4885MEN1 571/4885KDM4E 1794/4885

“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.