SCHEMBL21611536

SCHEMBL21611536

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ LMNA P02545 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.48
▸ MRGPRX1 Q96LB2 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PIN1 Q13526 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MGMT P16455 1/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ MET P08581 1/20 0.38
▸ KDR P35968 2/20 0.38
▸ RET P07949 1/20 0.38
▸ KIF5B P33176 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ EGFR P00533 1/20 0.38

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 0.88 MAPT (0.60) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611406 0.87 ALDH1A1 (0.46) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611550 0.86 MAPT (0.75) MAPTLMNAALDH1A1MRGPRX1SMN1; SMN2
SCHEMBL21611402 0.85 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611426 0.85 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL23646554 0.84 MAPT (0.53) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611362 0.84 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611354 0.84 MAPT (0.75) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611534 0.84 MAPT (0.56) MAPTLMNAALDH1A1MRGPRX1SMN1; SMN2
SCHEMBL21858751 0.84 MAPT (0.55) MAPTLMNAALDH1A1MRGPRX1SMN1; 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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