SCHEMBL3786750

SCHEMBL3786750

FC(F)(F)c1ccc(-c2ncc3ccccc3n2)nc1C#Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP1 O94782 8/20 0.38
WDR48 Q8TAF3 8/20 0.38
ADORA2A P29274 1/20 0.36
CYP1A2 P05177 7/20 0.35
GRM5 P41594 2/20 0.34
GRM4 Q14833 1/20 0.33
CYP2D6 P10635 4/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8766869 0.81 CYP1A2 (0.39) ADORA2ACYP1A2GRM5CYP2D6CYP3A4
SCHEMBL8778593 0.79 LCK (0.36) USP1WDR48CYP1A2GRM5
SCHEMBL8779827 0.78 PDGFRB (0.45) ADORA2ACYP1A2GRM5LMNA
SCHEMBL8870205 0.77 CYP1A2 (0.40) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL8778498 0.77 USP1 (0.34) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL8778539 0.75 GRM5 (0.37) CYP1A2GRM5LMNA
SCHEMBL8778436 0.74 CYP1A2 (0.37) ADORA2ACYP1A2GRM5
SCHEMBL8778633 0.74 GRM5 (0.46) CYP1A2GRM5GRM4CYP2D6CYP3A4
SCHEMBL8775329 0.73 USP1 (0.46) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL8778467 0.72 GRM5 (0.37) CYP1A2GRM5LMNA

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 3 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
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 USP1 2963/4885WDR48 4477/4885ADORA2A 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.