SCHEMBL19995271

SCHEMBL19995271

C[C@@H]1CNCCN1c1nc(-c2ccnc(F)c2)[nH]c(=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.42
HTR2C P28335 8/20 0.38
LATS1 O95835 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALK Q9UM73 1/20 0.37
MTOR P42345 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
HTR2A P28223 3/20 0.34
HTR2B P41595 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ITGA2B P08514 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
SCHEMBL19995211 1.00 GSK3B (0.42) GSK3BHTR2CLATS1KCNH2ALK
SCHEMBL19995187 1.00 GSK3B (0.42) GSK3BHTR2CLATS1KCNH2ALK
SCHEMBL22563224 0.94 GSK3B (0.37) GSK3BHTR2CLATS1KCNH2ALK
SCHEMBL20012266 0.94 GSK3B (0.37) GSK3BHTR2CLATS1KCNH2ALK
SCHEMBL20012228 0.91 KCNH2 (0.39) GSK3BHTR2CKCNH2MTORITGA2B
SCHEMBL21853868 0.87 KCNH2 (0.35) GSK3BHTR2CKCNH2HTR2AHTR2B
SCHEMBL22551023 0.87 KCNH2 (0.35) GSK3BHTR2CKCNH2HTR2AHTR2B
SCHEMBL21853867 0.87 KCNH2 (0.35) GSK3BHTR2CKCNH2HTR2AHTR2B
SCHEMBL21853950 0.87 KCNH2 (0.35) GSK3BHTR2CKCNH2HTR2AHTR2B
SCHEMBL20011889 0.86 GSK3B (0.51) GSK3BHTR2CLATS1MTORROCK1

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 GSK3B 597/4885HTR2C 4657/4885LATS1 1173/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 GSK3B 600/4885HTR2C 4650/4885LATS1 1199/4885

“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.