SCHEMBL21611606

SCHEMBL21611606

COc1cc(O)cc(Oc2nc[nH]c(=O)c2N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 5/20 0.39
▸ ABL1 P00519 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ BRAF P15056 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ SRC P12931 2/20 0.34
▸ TTK P33981 1/20 0.34

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
SCHEMBL21611497 0.93 ABL1 (0.40) ALKABL1KMT2ARIN1ALDH1A1
Hydrochloric Acid SCHEMBL23646643 0.91 ABL1 (0.39) ALKABL1KMT2ARIN1ALDH1A1
Hydrochloric Acid SCHEMBL21858803 0.85 MAPT (0.35) ALKABL1KMT2ARIN1ALDH1A1
Hydrochloric Acid SCHEMBL21611522 0.81 ALDH1A1 (0.46) ALKKMT2AALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL21611611 0.80 KMT2A (0.48) ALKABL1KMT2ARIN1ALDH1A1
SCHEMBL21611423 0.77 RET (0.40) ABL1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL21611624 0.75 PARP1 (0.38) ALKALDH1A1PDPK1PARP1
SCHEMBL21611584 0.74 ALK (0.41) ALKPARP1MET
SCHEMBL21611567 0.74 ALK (0.41) ALKPARP1MET
SCHEMBL21611554 0.74 ALK (0.42) ALKMAPTPARP1MET

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 ALK 718/4885ABL1 98/4885KMT2A 3247/4885

“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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