SCHEMBL21611440

SCHEMBL21611440

COc1ncnc(Oc2ccc(C#N)cc2)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.46
▸ MERTK Q12866 2/20 0.42
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA13 Q8N1Q1 2/20 0.39
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALK Q9UM73 1/20 0.37

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
SCHEMBL21611376 0.85 MAPT (0.53) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL21611521 0.84 MAPT (0.55) MAPTLMNAALDH1A1MERTKSMN1; SMN2
SCHEMBL21611534 0.82 MAPT (0.56) MAPTLMNAALDH1A1MERTKSMN1; SMN2
SCHEMBL28523668 0.82 MAPT (0.52) MAPTLMNAALDH1A1MERTKSMN1; SMN2
SCHEMBL21611475 0.82 MAPT (0.56) MAPTLMNAALDH1A1MERTKSMN1; SMN2
SCHEMBL21858751 0.82 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL23646428 0.82 MAPT (0.53) MAPTLMNAALDH1A1MERTKSMN1; SMN2
SCHEMBL21611383 0.82 AR (0.44) MAPTLMNAALDH1A1MERTKSMN1; SMN2
SCHEMBL21611397 0.81 ALDH1A1 (0.46) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL21611359 0.81 MAPT (0.51) MAPTLMNAALDH1A1MERTKSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2021-11-18 — — US disclosed
CN-113038990-A Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-25 — — CN 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-2020079205-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-04-23 — — WO 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-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM QDPR, QARS1, QPCTL MAPT 2426/4885LMNA 2525/4885ALDH1A1 1957/4885

“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.

Send feedback