SCHEMBL8779034

SCHEMBL8779034

Cc1ccc(-c2ncc3cc(N)ccc3n2)nc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
TLR9 Q9NR96 2/20 0.44
ATM Q13315 2/20 0.44
PDE10A Q9Y233 1/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
MEN1 O00255 6/20 0.41
KDR P35968 2/20 0.40
LCK P06239 2/20 0.40
JAK3 P52333 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 5/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 4/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL3789195 0.87 KDM4E (0.47) KMT2APDE10AMAOAMAOBMEN1
SCHEMBL8779050 0.85 MAPT (0.41) KMT2APDE10AMAOAMAOBMEN1
SCHEMBL8779053 0.85 PDE10A (0.41) KMT2APDE10AMAOAMAOBMEN1
SCHEMBL8779166 0.85 PDE10A (0.41) KMT2APDE10AMAOAMAOBMEN1
SCHEMBL9607582 0.85 CYP1A2 (0.48) KMT2AATMPDE10AMEN1KDR
SCHEMBL8776938 0.84 PDE10A (0.51) KMT2AATMPDE10AMAOAMAOB
SCHEMBL8777323 0.84 NPC1 (0.46) KMT2APDE10AMEN1ALDH1A1MAPT
SCHEMBL8779400 0.83 NPC1 (0.50) KMT2AMAOAMAOBMEN1ALDH1A1
SCHEMBL8779177 0.82 MAOA (0.39) KMT2APDE10AMAOAMAOBMEN1
SCHEMBL8777140 0.82 CYP1A2 (0.50) KMT2ATLR9ATMPDE10AMAOA

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 3 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

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 2145/4885TLR9 1806/4885ATM 2730/4885

“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.