SCHEMBL19995445

SCHEMBL19995445

CN1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.45
PARP1 P09874 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
ALOX5 P09917 1/20 0.44
MAPK14 Q16539 3/20 0.43
MAPK11 Q15759 2/20 0.43
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 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
SCHEMBL20011817 0.86 MAPK11 (0.48) PARP1MAPK14MAPK11GRIA1GRIA2
SCHEMBL21853834 0.85 ALDH1A1 (0.40) TNKSPARP1MAPK14MAPK11GRIA1
SCHEMBL22563129 0.84 TNKS (0.45) TNKSPARP1TNKS2ALOX5MAPK14
SCHEMBL19995898 0.84 TLR9 (0.42) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL20012166 0.84 MAPK11 (0.43) TNKSPARP1TNKS2MAPK14MAPK11
SCHEMBL20012410 0.83 SMN1; SMN2 (0.39) MAPK14MAPK11GRIA1GRIA2GRIA3
SCHEMBL20011837 0.83 CYP3A4 (0.38) TNKSPARP1TNKS2MAPK14MAPK11
SCHEMBL20012418 0.82 HPGD (0.41) TNKSTNKS2ALOX5MAPK14MAPK11
SCHEMBL21853831 0.82 CTSS (0.38) MAPK14MAPK11GRIA1GRIA2GRIA3
SCHEMBL20011995 0.82 PRMT5 (0.42) MAPK14MAPK11GRIA1GRIA2GRIA3

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 16 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
EP-3515903-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES Cancer Research Technology Limited (GB) 2019-07-31 EP claimed
WO-2018055402-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-29 WO 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
EP-3515903-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES Cancer Research Technology Limited (GB) 2019-07-31 EP disclosed
WO-2018055402-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-29 WO 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 TNKS 314/4885PARP1 673/4885TNKS2 387/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 TNKS 330/4885PARP1 688/4885TNKS2 397/4885

“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.