SCHEMBL3787452

SCHEMBL3787452

Cc1ccc(-c2nc(C)c3ccccc3n2)nc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.54
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 2/20 0.44
HPGD P15428 1/20 0.44
NUDT1 P36639 1/20 0.44
GPR3 P46089 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL8779746 0.86 PDE10A (0.45) PDE10AALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL12318278 0.86 DHODH (0.45) PDE10AATMHSD17B10CYP1A2POLB
SCHEMBL8779217 0.84 PARP1 (0.42) PDE10AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8779280 0.84 PDE10A (0.42) PDE10AMEN1KMT2AATMALDH1A1
SCHEMBL422358 0.82 PDE10A (0.61) PDE10AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8779307 0.82 KDM4E (0.49) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL8779222 0.81 DHODH (0.46) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL8779739 0.80 ABCG2 (0.49) PDE10AALDH1A1HPGDL3MBTL1MAPT
SCHEMBL8884919 0.80 PDE10A (0.62) PDE10AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL10697834 0.79 L3MBTL1 (0.57) PDE10AMEN1KMT2AALDH1A1HSD17B10

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 9 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
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
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 PDE10A 1335/4885MEN1 571/4885KMT2A 2145/4885

“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.