Sugi Predict

Sugi Predict / Compounds / SCHEMBL3789674

SCHEMBL3789674

SCHEMBL3789674

Cc1ccccc1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.44
▸ CYP1A2 P05177 10/20 0.42
▸ ADORA2A P29274 1/20 0.39
▸ MBNL1 Q9NR56 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ AR P10275 2/20 0.38
▸ CYP2D6 P10635 6/20 0.38
▸ CYP3A4 P08684 6/20 0.38
▸ CLK4 Q9HAZ1 5/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ USP2 O75604 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL8776607 0.91 CYP1A2 (0.40) PDE10ACYP1A2MBNL1LCKKDR
SCHEMBL8776603 0.88 CYP1A2 (0.40) PDE10ACYP1A2MBNL1TSHRALOX15
SCHEMBL8776404 0.88 CYP1A2 (0.46) PDE10ACYP1A2MBNL1ARCYP2D6
SCHEMBL8776689 0.88 ALDH1A1 (0.43) PDE10ACYP1A2MBNL1CYP2D6CYP3A4
SCHEMBL8776915 0.88 CYP1A2 (0.42) PDE10ACYP1A2MBNL1LCKKDR
SCHEMBL8776992 0.88 MBNL1 (0.56) PDE10ACYP1A2ADORA2AMBNL1AR
SCHEMBL8776451 0.88 CYP1A2 (0.40) PDE10ACYP1A2MBNL1LCKKDR
SCHEMBL8777068 0.88 CYP1A2 (0.40) PDE10ACYP1A2ADORA2AMBNL1LCK
SCHEMBL8776645 0.88 CYP1A2 (0.40) PDE10ACYP1A2MBNL1LCKKDR
SCHEMBL8776865 0.87 CYP1A2 (0.39) PDE10ACYP1A2ADORA2AMBNL1AR

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 10 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
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 — — US 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 1335/4885CYP1A2 18/4885ADORA2A 3887/4885

“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.