SCHEMBL20011959

SCHEMBL20011959

CS(=O)(=O)N1CCCN(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.44
CYP21A2 P08686 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP2C19 P33261 5/20 0.40
CYP2C9 P11712 5/20 0.40
MAPK1 P28482 2/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
CYP2D6 P10635 4/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 1/20 0.39
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
HIF1A Q16665 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
NPY5R Q15761 1/20 0.37
CYP3A4 P08684 4/20 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
SCHEMBL19995742 0.96 CYP17A1 (0.47) CYP17A1CYP21A2CYP11B1CYP2C19CYP2C9
SCHEMBL19995736 0.85 MAPT (0.43) TSHRMAPK11MAPK14GRIA1GRIA2
SCHEMBL20012119 0.84 MAPT (0.43) TSHRMAPK11MAPK14GRIA1GRIA2
SCHEMBL20012007 0.84 MAPT (0.43) TSHRMAPK11MAPK14GRIA1GRIA2
SCHEMBL20012001 0.82 MAPK13 (0.46) MAPK1TSHRMAPK11MAPK14ALDH1A1
SCHEMBL22563187 0.82 ROCK1 (0.38) MAPK11MAPK14GRIA1GRIA2GRIA3
SCHEMBL20011984 0.82 GCGR (0.38) MAPK11MAPK14GRIA1GRIA2GRIA3
SCHEMBL20012216 0.81 MAPT (0.40) TSHRMAPK11MAPK14GRIA1GRIA2
SCHEMBL20011956 0.80 PRKCI (0.42) MAPK11MAPK14
SCHEMBL21899430 0.79 MAPT (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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 12 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 claimed
US-10919896-B2 Preparation and uses of pyrimidinone derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-02-16 US claimed
EP-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP claimed
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. 2020-04-23 US claimed
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 CYP17A1 1168/4885CYP21A2 1071/4885CYP11B1 1447/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 CYP17A1 1140/4885CYP21A2 1062/4885CYP11B1 1397/4885

“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.