SCHEMBL8776618

SCHEMBL8776618

COc1cccc(F)c1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.45
RPS6KA2 Q15349 2/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR5A P47898 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FGFR4 P22455 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL8777306 0.92 MEN1 (0.39) MAP4K1MAOAMAOBL3MBTL1MEN1
SCHEMBL8777078 0.90 MBNL1 (0.40) MAP4K1HTR5A
SCHEMBL8776528 0.87 MEN1 (0.41) MAP4K1MAOAMAOBL3MBTL1MEN1
SCHEMBL8775767 0.85 MAP4K1 (0.47) MAP4K1RPS6KA2L3MBTL1MEN1KMT2A
SCHEMBL8776753 0.84 MAOA (0.43) MAP4K1MAOAMAOBL3MBTL1MEN1
SCHEMBL8777051 0.83 NPC1 (0.37) MAOAMAOBL3MBTL1
SCHEMBL8776831 0.82 ALDH1A1 (0.49) MAOAMAOBMEN1KMT2A
SCHEMBL8777316 0.82 MBNL1 (0.40) MAP4K1MAOAMAOBL3MBTL1MEN1
SCHEMBL29360950 0.81 ALDH1A1 (0.46) L3MBTL1MEN1KMT2A
SCHEMBL3785974 0.81 ALDH1A1 (0.46) L3MBTL1MEN1KMT2A

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 MAP4K1 1097/4885RPS6KA2 3743/4885MAOA 737/4885

“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.