SCHEMBL8779457

SCHEMBL8779457

CCc1nc(-c2cccc(Cc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
BRD4 O60885 1/20 0.39
TGFBR1 P36897 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK14 Q16539 1/20 0.38
PDE5A O76074 2/20 0.37
AGTR1 P30556 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
JAK2 O60674 1/20 0.36
METAP1 P53582 1/20 0.36
PPP1CA P62136 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL8779492 0.90 KDM4E (0.41) SMN1; SMN2KMT2AMEN1L3MBTL1BRD4
SCHEMBL8779389 0.87 TLR8 (0.40) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL8779470 0.86 BRD4 (0.39) SMN1; SMN2KMT2AMEN1L3MBTL1BRD4
SCHEMBL8779486 0.86 PDE5A (0.36) SMN1; SMN2KMT2AMEN1L3MBTL1BRD4
SCHEMBL8779392 0.83 PDE10A (0.46) SMN1; SMN2KMT2AMEN1L3MBTL1BRD4
SCHEMBL9607741 0.81 BRD4 (0.40) SMN1; SMN2KMT2AMEN1L3MBTL1BRD4
SCHEMBL8779414 0.81 MEN1 (0.54) POLBKMT2AMEN1L3MBTL1BRD4
SCHEMBL3787489 0.80 MAPT (0.50) POLBKMT2AMEN1L3MBTL1PDE5A
SCHEMBL8779425 0.79 GAA (0.51) POLBKMT2AMEN1L3MBTL1PDE5A
SCHEMBL8779415 0.78 MAPT (0.53) POLBKMT2AMEN1L3MBTL1BRD4

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 SMN1; SMN2 3646/4885POLB 4191/4885RAD52 4195/4885

“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.