SCHEMBL21611550

SCHEMBL21611550

COc1ncnc(Oc2cccc(C)c2)c1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.75
▸ LMNA P02545 3/20 0.75
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MRGPRX1 Q96LB2 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PIN1 Q13526 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ ALOX5 P09917 1/20 0.40

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
SCHEMBL21611500 0.89 MAPT (0.60) MAPTLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL21611426 0.86 MAPT (0.56) MAPTLMNAALDH1A1TP53MEN1
SCHEMBL21611536 0.86 MAPT (0.56) MAPTLMNAALDH1A1MRGPRX1TP53
SCHEMBL21611402 0.86 MAPT (0.56) MAPTLMNAALDH1A1TP53MEN1
SCHEMBL21858751 0.85 MAPT (0.55) MAPTLMNAALDH1A1NPSR1MRGPRX1
SCHEMBL23646554 0.83 MAPT (0.53) MAPTLMNAALDH1A1TP53MEN1
SCHEMBL21611376 0.83 MAPT (0.53) MAPTLMNAALDH1A1TP53MEN1
SCHEMBL21611494 0.83 MAPT (0.53) MAPTLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL21611354 0.83 MAPT (0.75) MAPTLMNAALDH1A1KDM4ENPSR1
SCHEMBL21611362 0.83 MAPT (0.56) MAPTLMNAALDH1A1TP53SMN1; SMN2

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 MAPT 2373/4885LMNA 2178/4885ALDH1A1 1003/4885

“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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