SCHEMBL20011967

SCHEMBL20011967

O=c1cc(C2CCOCC2)nc(-c2ccncc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.51
DYRK1A Q13627 2/20 0.41
GAA P10253 2/20 0.41
CDC7 O00311 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
CSF1R P07333 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
MAPK1 P28482 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL21853820 0.79 GSK3B (0.49) GSK3BDYRK1AGAACDC7DYRK3
SCHEMBL20012186 0.74 HPGD (0.41) GSK3BMAP4K4CSNK1A1CSNK1DCLK4
SCHEMBL20011964 0.74 HPGD (0.41) GSK3BDYRK1AGRIA1GRIA2GRIA3
SCHEMBL20012409 0.74 HPGD (0.41) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL19996050 0.74 HPGD (0.41) GSK3BGRIA1GRIA2GRIA3GRIA4
SCHEMBL20012418 0.74 HPGD (0.41) GSK3BGRIA1GRIA2GRIA3GRIA4
SCHEMBL20011820 0.73 GPR119 (0.55) HPGDMAPTALDH1A1
SCHEMBL5377580 0.73 GSK3B (0.87) GSK3BDYRK1AGAACDC7DYRK3
SCHEMBL20012245 0.71 TNKS2 (0.44) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL20138760 0.71 KDM5B (0.39) CDC7DBF4KDM5BPIK3CD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036006-B Preparation and use of pyrimidinone derivatives 癌症研究科技有限公司 2022-12-13 CN disclosed
US-10919896-B2 Preparation and uses of pyrimidinone derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-02-16 US disclosed
US-10919896-B2 Preparation and uses of pyrimidinone derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-02-16 US disclosed
EP-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP disclosed
EP-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP disclosed
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. 2020-04-23 US disclosed
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. 2020-04-23 US disclosed
WO-2018055402-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-29 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 (2 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-10919896-B2 Preparation and uses of pyrimidinone derivatives CDC7, CDK7, CDK17 GSK3B 597/4885DYRK1A 889/4885GAA 1817/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 GSK3B 600/4885DYRK1A 883/4885GAA 1892/4885

“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.