SCHEMBL4639697

SCHEMBL4639697

COc1cccc(-c2cccc(C=Cc3cc(=O)n(C)c(N)n3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.57
BRD4 O60885 1/20 0.44
DHFR P00374 1/20 0.44
CYP19A1 P11511 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ECE2 P0DPD6 1/20 0.41
AGTR1 P30556 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL4639694 1.00 BACE1 (0.57) BACE1BRD4DHFRCYP19A1MAOA
SCHEMBL4640096 1.00 BACE1 (0.57) BACE1BRD4DHFRCYP19A1MAOA
SCHEMBL4639688 0.78 BACE1 (0.52) BACE1MAOBADORA2AMEN1KMT2A
SCHEMBL4639689 0.78 BACE1 (0.52) BACE1MAOBADORA2AMEN1KMT2A
SCHEMBL4639823 0.78 BACE1 (0.52) BACE1MAOBADORA2AMEN1KMT2A
SCHEMBL4149461 0.78 BACE1 (0.71) BACE1BRD4MEN1KMT2A
SCHEMBL4136351 0.76 BACE1 (0.61) BACE1CYP19A1MAOAMAOBADORA2A
SCHEMBL4136356 0.76 BACE1 (0.61) BACE1CYP19A1MAOAMAOBADORA2A
SCHEMBL4512841 0.74 BACE1 (0.72) BACE1BRD4
SCHEMBL4134504 0.74 BACE1 (0.81) BACE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318985-A1 Novel 2-Aminopyrimidinone Or 2-Aminopyridinone Derivatives and Their Use ASTRAZENECA AB (SE) 2008-12-25 US claimed
EP-1951682-A1 NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP claimed
WO-2007058582-A1 NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO claimed
US-20080318985-A1 Novel 2-Aminopyrimidinone Or 2-Aminopyridinone Derivatives and Their Use ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1951682-A1 NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP disclosed
WO-2007058582-A1 NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 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-20080318985-A1 Novel 2-Aminopyrimidinone Or 2-Aminopyridinone Derivatives and Their Use PSEN2, PSEN1, GRIN2D BACE1 12/4885BRD4 1238/4885DHFR 1731/4885

“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.