SCHEMBL19782695

SCHEMBL19782695

COCOc1ccc(C(=O)CC(=O)c2ccncc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.52
WNT3A P56704 2/20 0.52
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 2/20 0.45
PLOD2 O00469 1/20 0.45
PLOD3 O60568 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL19782935 0.85 KMT2A (0.55) CTNNB1WNT3AKMT2AALDH1A1MEN1
SCHEMBL15969141 0.80 CTNNB1 (0.72) CTNNB1WNT3AKMT2AALDH1A1MEN1
SCHEMBL18456830 0.79 MAPT (0.64) KMT2AALDH1A1MEN1PKMSMN1; SMN2
SCHEMBL1659363 0.78 MAPT (0.71) CTNNB1WNT3AKMT2AALDH1A1MEN1
SCHEMBL2848020 0.77 KMT2A (0.61) KMT2AALDH1A1MEN1SMN1; SMN2CYP1A2
SCHEMBL6568030 0.77 TSHR (0.73) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL18662463 0.74 MEN1 (0.47) CTNNB1WNT3AKMT2AALDH1A1MEN1
SCHEMBL29668496 0.74 MEN1 (0.71) CTNNB1WNT3AKMT2AALDH1A1MEN1
SCHEMBL28881824 0.74 MEN1 (0.71) CTNNB1WNT3AKMT2AALDH1A1MEN1
SCHEMBL6280969 0.73 PDE4D (0.60) CTNNB1WNT3AKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-29 US disclosed
US-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2020-06-11 US disclosed
WO-2018011376-A1 PYRIMIDINONE DERIVATIVES AND USES THEREOF TO NEUTRALIZE THE BIOLOGICAL ACTIVITY OF CHEMOKINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2018-01-18 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-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CCL5, CXCR3, CXCL10 CTNNB1 1144/4885WNT3A 3288/4885KMT2A 4043/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CTNNB1 1144/4885WNT3A 3288/4885KMT2A 4043/4885

“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.