SCHEMBL8239238

SCHEMBL8239238

COc1cccc(-c2cccc(CCc3nc(N)n(C)c(=O)c3Cc3ccccc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.62
LTB4R Q15722 2/20 0.55
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DPP4 P27487 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
Trifluoroacetic Acid SCHEMBL4242602 0.94 BACE1 (0.55) BACE1LTB4RMEN1KMT2AUSP2
SCHEMBL8231287 0.85 BACE1 (0.67) BACE1LTB4RMEN1KMT2AUSP2
SCHEMBL13743980 0.82 MEN1 (0.57) BACE1LTB4RMEN1KMT2AUSP2
Trifluoroacetic Acid SCHEMBL4250441 0.82 BACE1 (0.57) BACE1LTB4R
SCHEMBL8236990 0.81 BACE1 (0.58) BACE1LTB4RMEN1KMT2AALDH1A1
SCHEMBL4136983 0.77 BACE1 (1.00) BACE1
SCHEMBL8237842 0.76 BACE1 (0.62) BACE1DPP4
Trifluoroacetic Acid SCHEMBL4247367 0.75 BACE1 (0.51) BACE1LTB4RMEN1KMT2AALDH1A1
SCHEMBL4134504 0.73 BACE1 (0.81) BACE1LTB4R
Trifluoroacetic Acid SCHEMBL4245228 0.73 BACE1 (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB, SODERTAIJE, SWEDENASTEX THEREAPEUTICS LTD (GB) 2009-08-27 US disclosed
US-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB, SODERTAIJE, SWEDENASTEX THEREAPEUTICS LTD (GB) 2009-08-27 US disclosed
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 US disclosed
WO-2007058580-A1 NOVEL 2-AMINOPYRIMIDINONE 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 (2 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-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT BACE1 9/4885LTB4R 3309/4885MEN1 4103/4885
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT BACE1 9/4885LTB4R 3309/4885MEN1 4103/4885

“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.