SCHEMBL8775528

SCHEMBL8775528

Cc1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.44
AR P10275 1/20 0.43
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK14 Q16539 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP2D6 P10635 5/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2C19 P33261 4/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CLK4 Q9HAZ1 4/20 0.39
TSHR P16473 3/20 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
SCHEMBL8775218 0.91 CYP1A2 (0.42) CYP1A2ARLCKKDRJAK3
SCHEMBL8775946 0.86 CYP1A2 (0.44) CYP1A2ARLCKKDRJAK3
SCHEMBL3786375 0.86 CYP1A2 (0.40) CYP1A2ARCYP3A4CYP2C19HSD17B10
SCHEMBL8776023 0.86 MAPT (0.41) CYP1A2ARHSD17B10SMN1; SMN2MEN1
SCHEMBL8776142 0.84 CYP1A2 (0.48) CYP1A2ARCYP2D6CYP3A4CYP2C19
SCHEMBL19143038 0.84 CYP1A2 (0.56) CYP1A2LCKKDRJAK3MAPK14
SCHEMBL31116679 0.84 CYP1A2 (0.56) CYP1A2LCKKDRJAK3MAPK14
SCHEMBL8775504 0.84 GRM2 (0.39) CYP1A2ARSMN1; SMN2MEN1KMT2A
SCHEMBL8776019 0.84 IDO1 (0.42) CYP1A2ARSMN1; SMN2MEN1KMT2A
SCHEMBL3794048 0.84 AR (0.39) CYP1A2ARSMN1; SMN2MEN1KMT2A

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 18/4885AR 3869/4885LCK 1854/4885

“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.