SCHEMBL4248023

SCHEMBL4248023

COC(=O)C1CCCC(C)(Cc2cccc(Br)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ STS P08842 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL4242605 0.71 PARP1 (0.43) CYP2C9CYP2C19L3MBTL1STSALDH1A1
SCHEMBL5171096 0.71 MEN1 (0.41) KMT2ACYP2C9CYP2C19L3MBTL1NPSR1
SCHEMBL4123910 0.69 FKBP1A (0.40) CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL31266306 0.69 KMT2A (0.41) KMT2AL3MBTL1SIGMAR1
SCHEMBL3236730 0.68 CYP1A2 (0.37) KMT2ACYP2C9CYP2C19L3MBTL1NPSR1
SCHEMBL5252554 0.67 HTT (0.44) KMT2ACYP2C9CYP2C19SLC6A4POLB
SCHEMBL31266021 0.67 KMT2A (0.39) KMT2ACYP2C9CYP2C19SLC6A4SLC6A3
SCHEMBL31266232 0.65 KMT2A (0.38) KMT2ACYP2C9CYP2C19SLC6A4SLC6A3
SCHEMBL27358578 0.65 ALDH1A1 (0.52) KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL3339309 0.65 CYP1A2 (0.37) KMT2ACYP2C9CYP2C19L3MBTL1NPSR1

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 10 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-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB, SODERTAIJE, SWEDENASTEX THEREAPEUTICS LTD (GB) 2009-08-27 — — US disclosed
CN-101360720-A Novel 2-aminopyrimidinone derivatives and their use ASTRAZENECA AB (SE) 2009-02-04 — — CN 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 KMT2A 2006/4885CYP2C9 1988/4885CYP2C19 529/4885
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT KMT2A 2006/4885CYP2C9 1988/4885CYP2C19 529/4885

“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.

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