SCHEMBL8776823

SCHEMBL8776823

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.41
CYP2D6 P10635 5/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
RECQL P46063 1/20 0.41
USP1 O94782 7/20 0.40
WDR48 Q8TAF3 7/20 0.40
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 3/20 0.39
TRPA1 O75762 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
HSD11B1 P28845 1/20 0.38
PTPN1 P18031 1/20 0.38
ACP1 P24666 1/20 0.38
MBNL1 Q9NR56 1/20 0.37
ALOX15 P16050 2/20 0.37

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
SCHEMBL8777294 0.87 HSD11B1 (0.37) CYP1A2USP1WDR48HSD11B1ACP1
SCHEMBL3789674 0.84 PDE10A (0.44) CYP1A2CYP2D6CYP2C19CYP2C9CLK4
SCHEMBL8776992 0.84 MBNL1 (0.56) CYP1A2ALDH1A1MBNL1HIF1A
SCHEMBL8776915 0.81 CYP1A2 (0.42) CYP1A2RECQLALDH1A1MBNL1
SCHEMBL8776607 0.81 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C19CLK4RECQL
SCHEMBL8776645 0.81 CYP1A2 (0.40) CYP1A2MAPK1MBNL1TDP1
SCHEMBL8776603 0.81 CYP1A2 (0.40) CYP1A2ALDH1A1GLAMBNL1ALOX15
SCHEMBL8777068 0.81 CYP1A2 (0.40) CYP1A2ALDH1A1GLAMBNL1HSD17B10
SCHEMBL8776404 0.81 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19CLK4RECQL
SCHEMBL8776689 0.81 ALDH1A1 (0.43) CYP1A2CYP2D6CYP2C19CYP2C9CLK4

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 18/4885CYP2D6 85/4885CYP2C19 38/4885

“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.