SCHEMBL21611400

SCHEMBL21611400

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA13 Q8N1Q1 2/20 0.51
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.44
▸ GPR119 Q8TDV5 3/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MERTK Q12866 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TP53 P04637 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
SCHEMBL21611358 0.88 MAPT (0.56) MAPTCA1CA2CA7CA13
SCHEMBL21611419 0.85 MAPT (0.54) MAPTCA1CA2CA7CA13
SCHEMBL23646598 0.85 MAPT (0.58) MAPTCA1CA2CA7CA13
SCHEMBL21611389 0.85 MAPT (0.58) MAPTCA1CA2CA7CA13
SCHEMBL23646428 0.84 MAPT (0.53) MAPTCA1CA2CA7CA13
SCHEMBL21611366 0.84 MAPT (0.55) MAPTCA1CA2CA7CA13
SCHEMBL21611367 0.84 MAPT (0.55) MAPTCA1CA2CA7CA13
SCHEMBL21611534 0.83 MAPT (0.56) MAPTCA1CA2CA7CA13
SCHEMBL21611521 0.81 MAPT (0.55) MAPTCA1CA2CA7CA13
SCHEMBL21611475 0.80 MAPT (0.56) MAPTCA1CA2CA7CA13

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 MAPT 2373/4885CA1 4879/4885CA2 4701/4885

“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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