SCHEMBL8776643

SCHEMBL8776643

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
ATM Q13315 1/20 0.42
PDE10A Q9Y233 1/20 0.41
ABCG2 Q9UNQ0 4/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 3/20 0.40
ATR Q13535 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 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
SCHEMBL8776961 0.87 CYP1A2 (0.45) PDE10AABCG2CYP1A2KDM1A
SCHEMBL8776955 0.85 CYP1A2 (0.42) PDE10AABCG2ADORA2ACYP1A2ALDH1A1
SCHEMBL8777303 0.84 PDE10A (0.46) KDM4EPDE10ACYP1A2ALDH1A1
SCHEMBL8776966 0.84 PDE10A (0.46) PDE10AABCG2ADORA1CYP1A2ATR
SCHEMBL8775225 0.83 CTSS (0.49) KDM4EHPGDATMABCG2ADORA2A
SCHEMBL8776938 0.83 PDE10A (0.51) KDM4EATMPDE10ATDP1CYP1A2
SCHEMBL8777323 0.82 NPC1 (0.46) KDM4EHPGDPDE10ACYP1A2ALDH1A1
SCHEMBL8777123 0.82 PDE10A (0.44) PDE10AABCG2CYP1A2TGFBR1
SCHEMBL8776852 0.82 CYP1A2 (0.42) HPGDATMPDE10AABCG2CYP1A2
SCHEMBL8776481 0.82 NPC1 (0.50) KDM4EHPGDPDE10ACYP1A2ALDH1A1

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 KDM4E 1794/4885HPGD 1679/4885ATM 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.