SCHEMBL4245586

SCHEMBL4245586

Cn1c(N)nc(CCc2ccccc2)c(Br)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
BACE1 P56817 5/20 0.55
LTB4R Q15722 3/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 7/20 0.45
CYP2C19 P33261 7/20 0.45
TSHR P16473 6/20 0.45
ALDH1A1 P00352 6/20 0.45
CYP2C9 P11712 6/20 0.45
CYP3A4 P08684 4/20 0.45
USP2 O75604 3/20 0.44
LMNA P02545 3/20 0.43
CYP2D6 P10635 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8240375 0.84 MEN1 (0.60) MEN1KMT2ABACE1LTB4RKDM4E
SCHEMBL8233014 0.82 MEN1 (0.57) MEN1KMT2ABACE1LTB4RKDM4E
SCHEMBL13743980 0.82 MEN1 (0.57) MEN1KMT2ABACE1LTB4RKDM4E
SCHEMBL8236990 0.76 BACE1 (0.58) MEN1KMT2ABACE1LTB4RKDM4E
SCHEMBL4252260 0.75 BACE1 (0.62) MEN1KMT2ABACE1ALDH1A1HPGD
SCHEMBL10841723 0.74 KDM4E (0.54) BACE1KDM4ECYP1A2TSHRALDH1A1
Trifluoroacetic Acid SCHEMBL4242063 0.74 KMT2A (0.49) MEN1KMT2ABACE1LTB4RKDM4E
Trifluoroacetic Acid SCHEMBL4247367 0.71 BACE1 (0.51) MEN1KMT2ABACE1LTB4RALDH1A1
SCHEMBL4142484 0.71 BACE1 (1.00) MEN1KMT2ABACE1KDM4E
SCHEMBL8231301 0.71 BACE1 (0.50) MEN1KMT2ABACE1KDM4ECYP1A2

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 MEN1 4103/4885KMT2A 2006/4885BACE1 9/4885
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT MEN1 4103/4885KMT2A 2006/4885BACE1 9/4885

“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.