SCHEMBL8779217

SCHEMBL8779217

Cc1ccc(-c2nc(C)c3cccc(C)c3n2)nc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
PDE10A Q9Y233 4/20 0.40
RAD52 P43351 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8779222 0.88 DHODH (0.46) PARP1MEN1KMT2ARAB9AHTT
SCHEMBL3787452 0.84 PDE10A (0.54) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL8779289 0.78 MEN1 (0.39) PARP1TNKSTNKS2MEN1KMT2A
SCHEMBL8779280 0.78 PDE10A (0.42) PARP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL18698081 0.77 PARP1 (0.49) PARP1TNKSTNKS2MEN1KMT2A
SCHEMBL8817687 0.76 TNKS (0.43) PARP1TNKSTNKS2MEN1KMT2A
SCHEMBL10697834 0.76 L3MBTL1 (0.57) MEN1KMT2ARAB9ASMN1; SMN2GAA
SCHEMBL12318278 0.75 DHODH (0.45) SMN1; SMN2PDE10AHSD17B10POLB
SCHEMBL9369557 0.74 ALDH1A1 (0.42) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL10205828 0.73 ALDH1A1 (0.60) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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 PARP1 3966/4885TNKS 3748/4885TNKS2 4229/4885

“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.