SCHEMBL4242273

SCHEMBL4242273

Cc1c(CCc2cccc(Br)c2)nc(N)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
PARP1 P09874 1/20 0.47
TYMS P04818 6/20 0.44
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
XDH P47989 1/20 0.42
GPR84 Q9NQS5 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL4252260 0.76 BACE1 (0.62) BACE1PARP1HPGDTAAR1MAOB
SCHEMBL4136769 0.75 BACE1 (0.72) BACE1PARP1USP2HPGDTSHR
Trifluoroacetic Acid SCHEMBL4248393 0.69 BACE1 (0.53) BACE1PARP1HPGDMAOB
SCHEMBL4399626 0.68 TAAR1 (0.74) BACE1PARP1TAAR1MAOB
SCHEMBL4150133 0.68 BACE1 (0.57) BACE1PARP1USP2HPGDTSHR
SCHEMBL21433942 0.66 PNP (0.74) USP2TSHR
SCHEMBL4137249 0.65 BACE1 (1.00) BACE1TAAR1MAOB
SCHEMBL4438543 0.64 PARP1 (1.00) PARP1
SCHEMBL9879130 0.64 TYMS (0.43) TYMSL3MBTL1XDH
SCHEMBL9660784 0.63 TAAR1 (0.65) TAAR1MAOB

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 13 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 claimed
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 US claimed
EP-1951680-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP claimed
WO-2007058580-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO claimed
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-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
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1951680-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP disclosed
WO-2007058580-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO 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 9/4885PARP1 900/4885TYMS 2411/4885
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT BACE1 9/4885PARP1 900/4885TYMS 2411/4885

“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.