SCHEMBL8779404

SCHEMBL8779404

CC#CCOc1nc(-c2cccc(Cc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.43
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 2/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 1/20 0.36
RAB9A P51151 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL8779388 0.86 PDE5A (0.45) PDE5AMAPTALDH1A1POLBL3MBTL1
SCHEMBL8779414 0.85 MEN1 (0.54) PDE5AMAPTALDH1A1POLBL3MBTL1
SCHEMBL8779425 0.83 GAA (0.51) PDE5AMAPTALDH1A1POLBL3MBTL1
SCHEMBL3787489 0.82 MAPT (0.50) PDE5AMAPTALDH1A1POLBL3MBTL1
SCHEMBL8779416 0.82 PDE5A (0.45) PDE5AMAPTALDH1A1POLBL3MBTL1
SCHEMBL8779415 0.80 MAPT (0.53) PDE5AMAPTALDH1A1POLBL3MBTL1
SCHEMBL8779392 0.76 PDE10A (0.46) PDE5AALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9607741 0.76 BRD4 (0.40) PDE5AMAPTALDH1A1L3MBTL1MEN1
SCHEMBL8779574 0.75 MAPK1 (0.62) PDE5AMAPTALDH1A1POLBL3MBTL1
SCHEMBL8779457 0.73 SMN1; SMN2 (0.41) PDE5AALDH1A1POLBL3MBTL1MEN1

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 PDE5A 297/4885MAPT 3067/4885ALDH1A1 1125/4885

“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.