SCHEMBL21611607

SCHEMBL21611607

COc1ncnc(Oc2cnc3cc[nH]c3c2)c1N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.39
▸ MMP12 P39900 1/20 0.38
▸ TRPA1 O75762 3/20 0.38
▸ DRD1 P21728 2/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ TTBK1 Q5TCY1 2/20 0.33
▸ TTBK2 Q6IQ55 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ QPCT Q16769 1/20 0.33
▸ QPCTL Q9NXS2 1/20 0.33
▸ TNNI3K Q59H18 1/20 0.32
▸ APP P05067 1/20 0.32

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
SCHEMBL21611498 0.81 ALDH1A1 (0.42) KDRMMP12BRD4MEN1KMT2A
SCHEMBL21611579 0.78 MMP12 (0.36) MMP12DRD1BRD4MKNK1APP
SCHEMBL12925129 0.77 MMP12 (0.56) KDRMMP12BRD4MEN1POLB
SCHEMBL31200193 0.77 MMP12 (0.56) KDRMMP12BRD4MEN1POLB
SCHEMBL21611401 0.72 LMNA (0.53) KDRMEN1POLBMAPK1KMT2A
SCHEMBL21611558 0.72 KDM4E (0.44) KDRDRD1MEN1KMT2AMKNK1
SCHEMBL21858763 0.71 TRPA1 (0.50) TRPA1MEN1POLBKMT2A
SCHEMBL21611495 0.71 CYP1A1 (0.44) KDRMEN1POLBKMT2A
SCHEMBL21611512 0.70 MAP4K4 (0.48) TRPA1KMT2ATTBK1TTBK2
SCHEMBL21611480 0.69 SMN1; SMN2 (0.56) KDRMEN1KMT2ATTBK1TTBK2

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 KDR 1079/4885MMP12 4819/4885TRPA1 3279/4885

“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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