SCHEMBL20011982

SCHEMBL20011982

O=c1[nH]c(-c2ccncc2)nc(N2CCCN(CCO)CC2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.51
ROCK1 Q13464 5/20 0.51
CYP3A4 P08684 2/20 0.41
METAP1 P53582 1/20 0.41
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PIM1 P11309 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL20011879 0.96 ROCK2 (0.49) ROCK2ROCK1CYP3A4METAP1MAPK11
SCHEMBL20011956 0.90 PRKCI (0.42) ROCK2ROCK1MAPK11MAPK14HPGD
SCHEMBL21853849 0.85 TNKS (0.36) ROCK2ROCK1MAPK11MAPK14ALDH1A1
SCHEMBL20011958 0.85 TNKS (0.36) ROCK2ROCK1ALDH1A1HPGDTNKS
SCHEMBL19995736 0.84 MAPT (0.43) ROCK2ROCK1MAPK11MAPK14ALDH1A1
SCHEMBL20012119 0.83 MAPT (0.43) ROCK2ROCK1MAPK11MAPK14ALDH1A1
SCHEMBL20012007 0.83 MAPT (0.43) ROCK2ROCK1MAPK11MAPK14ALDH1A1
SCHEMBL21899430 0.82 MAPT (0.46) ALDH1A1HPGDTNKSPARP1PARP10
SCHEMBL19995257 0.82 ALDH1A1 (0.38) ROCK2ROCK1MAPK11MAPK14ALDH1A1
SCHEMBL20012001 0.81 MAPK13 (0.46) ROCK2ROCK1MAPK11MAPK14KDM4E

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 ROCK2 1491/4885ROCK1 922/4885CYP3A4 3090/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 ROCK2 1503/4885ROCK1 915/4885CYP3A4 3038/4885

“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.