SCHEMBL21611384

SCHEMBL21611384

COc1ncnc(Oc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.43
▸ GPR119 Q8TDV5 7/20 0.43
▸ ESR2 Q92731 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ ABHD6 Q9BV23 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 0.94 ESR2 (0.52) NR1H2GPR119ESR2ALDH1A1MAPT
SCHEMBL21611514 0.94 NR1H2 (0.53) NR1H2GPR119ESR2ALDH1A1MAPT
SCHEMBL21611545 0.84 NR1H2 (0.49) NR1H2GPR119ESR2HDAC1MAPT
SCHEMBL21611381 0.80 GPR119 (0.42) GPR119ALDH1A1MAPTCYP3A4LMNA
SCHEMBL23646517 0.79 NR1H2 (0.62) NR1H2GPR119ESR2MAPTCYP3A4
SCHEMBL21611636 0.79 NR1H2 (0.56) NR1H2GPR119ESR2MAPTCYP3A4
SCHEMBL21611588 0.77 ALDH1A1 (0.46) GPR119ALDH1A1MAPTLMNA
SCHEMBL23797939 0.77 HSPB1 (0.46) NR1H2ESR2ALDH1A1HDAC1MAPT
SCHEMBL21611586 0.77 GPR119 (0.46) GPR119ALDH1A1MAPTCYP3A4
SCHEMBL24761144 0.76 ESR2 (0.56) NR1H2ESR2ALDH1A1HDAC1MAPT

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-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
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 3326/4885GPR119 529/4885ESR2 2979/4885

“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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