SCHEMBL8779853

SCHEMBL8779853

COc1ccc(-c2ncc3ccccc3n2)nc1C#CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
TRPM8 Q7Z2W7 4/20 0.35
CYP1A2 P05177 4/20 0.34
PDE4A P27815 1/20 0.33
NQO2 P16083 1/20 0.33
PDE4D Q08499 2/20 0.32
SMO Q99835 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
PPP1CA P62136 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NTSR1 P30989 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL3792267 0.85 CYP1A2 (0.36) CYP1A2
SCHEMBL8779827 0.82 PDGFRB (0.45) PDGFRBPDGFRASMN1; SMN2KDM4ENPC1
SCHEMBL8871869 0.77 PDE10A (0.42) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8778608 0.76 CYP1A2 (0.40) CYP1A2
SCHEMBL8779764 0.74 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8779812 0.72 L3MBTL1 (0.46) PDGFRBPDGFRASMN1; SMN2KDM4ENPC1
SCHEMBL8779911 0.70 L3MBTL1 (0.56) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL3787309 0.69 ALDH1A1 (0.51) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8779778 0.69 ALDH1A1 (0.45) PDGFRBPDGFRASMN1; SMN2KDM4ENPC1
SCHEMBL8779883 0.69 SMN1; SMN2 (0.39) PDGFRBPDGFRASMN1; SMN2KDM4ENPC1

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 PDGFRB 4643/4885PDGFRA 4510/4885SMN1; SMN2 3646/4885

“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.