SCHEMBL21611540

SCHEMBL21611540

COc1cc(OC)cc(Oc2ncnc(OC)c2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ LMNA P02545 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA13 Q8N1Q1 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HTT P42858 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
SCHEMBL21858652 0.93 ALDH1A1 (0.44) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611436 0.93 ALDH1A1 (0.44) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611500 0.88 MAPT (0.60) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611406 0.87 ALDH1A1 (0.46) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL9165003 0.85 CA1 (0.49) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21858751 0.83 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611475 0.81 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2PIN1
SCHEMBL21611534 0.81 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL28523668 0.81 MAPT (0.52) MAPTLMNAALDH1A1SMN1; SMN2CA1
SCHEMBL21611550 0.80 MAPT (0.75) MAPTLMNAALDH1A1SMN1; SMN2PIN1

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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