SCHEMBL8779470

SCHEMBL8779470

OCc1nc(-c2cccc(Cc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
NPC1 O15118 2/20 0.38
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
PDE5A O76074 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
METAP1 P53582 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
JAK2 O60674 1/20 0.36
PPP1CA P62136 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
PRNP P04156 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ELANE P08246 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
SCHEMBL8779457 0.86 SMN1; SMN2 (0.41) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL8779486 0.86 PDE5A (0.36) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL8779492 0.84 KDM4E (0.41) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL9607741 0.83 BRD4 (0.40) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL8779389 0.82 TLR8 (0.40) KMT2AMEN1NPC1TDP1METAP1
SCHEMBL8779392 0.81 PDE10A (0.46) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL3787489 0.80 MAPT (0.50) KMT2AMEN1PDE5AL3MBTL1ALDH1A1
SCHEMBL8779415 0.75 MAPT (0.53) BRD4KMT2AMEN1PDE5AL3MBTL1
SCHEMBL8779414 0.75 MEN1 (0.54) BRD4KMT2AMEN1PDE5AL3MBTL1
SCHEMBL8779416 0.75 PDE5A (0.45) BRD4KMT2AMEN1PDE5AL3MBTL1

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 BRD4 1507/4885KMT2A 2145/4885MEN1 571/4885

“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.