SCHEMBL8776852

SCHEMBL8776852

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
PDE10A Q9Y233 3/20 0.40
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 3/20 0.40
ATR Q13535 1/20 0.40
PIK3CG P48736 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 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
SCHEMBL8776966 0.88 PDE10A (0.46) CYP1A2PDE10AATRSMN1; SMN2RAB9A
SCHEMBL8777303 0.88 PDE10A (0.46) CYP1A2PDE10ASMN1; SMN2LMNARAB9A
SCHEMBL8777229 0.86 CYP1A2 (0.48) CYP1A2PDE10ALMNARAB9AMEN1
SCHEMBL8776938 0.86 PDE10A (0.51) CYP1A2PDE10ASMN1; SMN2LMNARAB9A
SCHEMBL8776955 0.85 CYP1A2 (0.42) CYP1A2PDE10AALDH1A1ABCG2
SCHEMBL8777323 0.85 NPC1 (0.46) CYP1A2PDE10APIK3CGSMN1; SMN2TP53
SCHEMBL8777123 0.85 PDE10A (0.44) CYP1A2PDE10AABCG2
SCHEMBL8776443 0.85 PDE10A (0.41) CYP1A2PDE10AATRPIK3CGPIK3CA
SCHEMBL8777300 0.85 MAP4K4 (0.53) CYP1A2PDE10AATRSMN1; SMN2TP53
SCHEMBL8776481 0.85 NPC1 (0.50) CYP1A2PDE10ASMN1; SMN2LMNARAB9A

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 CYP1A2 18/4885PDE10A 1335/4885HSD17B1 746/4885

“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.