SCHEMBL21611514

SCHEMBL21611514

COc1ncnc(Oc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.53
▸ ESR2 Q92731 2/20 0.47
▸ MAPT P10636 5/20 0.43
▸ GPR119 Q8TDV5 4/20 0.41
▸ ABHD6 Q9BV23 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GHSR Q92847 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ ACACB O00763 1/20 0.36

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
SCHEMBL21611490 0.96 ESR2 (0.52) NR1H2ESR2MAPTGPR119ABHD6
SCHEMBL21611384 0.94 NR1H2 (0.43) NR1H2ESR2MAPTGPR119ABHD6
SCHEMBL23646517 0.86 NR1H2 (0.62) NR1H2ESR2MAPTGPR119ABHD6
SCHEMBL21611636 0.82 NR1H2 (0.56) NR1H2ESR2MAPTGPR119ABHD6
SCHEMBL6438594 0.79 NR1H2 (0.70) NR1H2ESR2MAPTABHD6ESR1
SCHEMBL30390692 0.79 NR1H2 (0.70) NR1H2ESR2MAPTABHD6ESR1
SCHEMBL21593208 0.78 NR1H2 (0.56) NR1H2ESR2MAPTCYP3A4
SCHEMBL21611545 0.78 NR1H2 (0.49) NR1H2ESR2MAPTGPR119ABHD6
SCHEMBL21611381 0.77 GPR119 (0.42) MAPTGPR119CYP3A4ALDH1A1LMNA
SCHEMBL21611434 0.77 GPR119 (0.46) MAPTGPR119CYP3A4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221785-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VERNALIS (R&D) LTD (GB) 2021-07-22 — — US disclosed
EP-3818054-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2021-05-12 — — EP disclosed
CN-112368276-A Amino-pyrimidinone derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-02-12 — — CN disclosed
WO-2020008013-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-01-09 — — 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 (1 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-20210221785-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DHFR, QDPR, DPYD NR1H2 3326/4885ESR2 2979/4885MAPT 2373/4885

“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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