SCHEMBL8778873

SCHEMBL8778873

COc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KDR P35968 1/20 0.40
BTK Q06187 1/20 0.40
IDH1 O75874 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TGFBR1 P36897 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.36

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
SCHEMBL9290480 0.87 HRH1 (0.39) CYP1A2KDM4EKDRBTKIDH1
SCHEMBL8777447 0.86 LMNA (0.41) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8778876 0.85 BTK (0.45) CYP1A2KDM4EBTKTGFBR1MEN1
SCHEMBL8777462 0.84 KMT2A (0.45) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3786821 0.82 HTT (0.47) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8777412 0.81 L3MBTL1 (0.46) CYP1A2SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8515946 0.81 KDM4E (0.43) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8776232 0.81 HTR7 (0.45) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3787255 0.80 MAP4K4 (0.45) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8777455 0.80 HTT (0.52) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A

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
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US 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 18/4885KDM4E 1794/4885KDR 4656/4885

“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.