SCHEMBL21611579

SCHEMBL21611579

Nc1c(Oc2cnc3cc[nH]c3c2)nc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ PNP P00491 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ APP P05067 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ APEX1 P27695 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM4B O94953 1/20 0.31
▸ KDM5C P41229 1/20 0.31

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
SCHEMBL21611607 0.78 KDR (0.39) MMP12BRD4APPDRD1MKNK1
SCHEMBL21611526 0.73 MKNK1 (0.46) MAPTKDM4EDRD1BLMMKNK1
SCHEMBL21611575 0.72 TRPA1 (0.44) PARP1MAPTKDM4EALDH1A1BRD4
Hydrochloric Acid SCHEMBL23646336 0.72 MKNK1 (0.45) MAPTKDM4EDRD1BLMMKNK1
SCHEMBL21611633 0.71 LMNA (0.45) ALDH1A1TDP1KDM4AKDM4BKDM5C
SCHEMBL21611624 0.70 PARP1 (0.38) PARP1PNPALDH1A1APPALK
SCHEMBL21611497 0.70 ABL1 (0.40) MMP12PARP1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL23646643 0.69 ABL1 (0.39) MMP12PARP1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL23646731 0.69 PARP1 (0.37) PARP1PNPALDH1A1APPALK
Hydrochloric Acid SCHEMBL21611611 0.69 KMT2A (0.48) MMP12MAPTKDM4EALDH1A1TDP1

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 MMP12 4819/4885PRKCI 4097/4885PARP1 829/4885

“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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