SCHEMBL20012468

SCHEMBL20012468

CC[C@H]1CNCCN1c1nc(-c2ccncc2)[nH]c(=O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
HTR2C P28335 3/20 0.38
HPGD P15428 3/20 0.37
TMIGD3 P0DMS9 1/20 0.37
ADORA1 P30542 1/20 0.37
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
GRIA1 P42261 3/20 0.35
GRIA2 P42262 3/20 0.35
GRIA3 P42263 3/20 0.35
GRIA4 P48058 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LATS1 O95835 1/20 0.35
HIF1A Q16665 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 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
SCHEMBL19995892 1.00 GSK3B (0.40) GSK3BHTR2CHPGDTMIGD3ADORA1
SCHEMBL22563193 1.00 GSK3B (0.40) GSK3BHTR2CHPGDTMIGD3ADORA1
SCHEMBL20012467 0.87 GSK3B (0.51) GSK3BHTR2CHPGDROCK1GRIA1
SCHEMBL20011889 0.87 GSK3B (0.51) GSK3BHTR2CHPGDROCK1GRIA1
SCHEMBL21899492 0.84 GSK3B (0.39) GSK3BHTR2CHPGDTMIGD3ADORA1
SCHEMBL20012465 0.84 GSK3B (0.39) GSK3BHTR2CHPGDTMIGD3ADORA1
SCHEMBL21853878 0.83 GSK3B (0.38) GSK3BHTR2CHPGDGRIA1GRIA2
SCHEMBL22551027 0.83 GSK3B (0.38) GSK3BHTR2CHPGDTMIGD3ADORA1
SCHEMBL19995235 0.83 GSK3B (0.38) GSK3BHTR2CHPGDGRIA1GRIA2
SCHEMBL21853840 0.83 GSK3B (0.38) GSK3BHTR2CHPGDTMIGD3ADORA1

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 GSK3B 597/4885HTR2C 4657/4885HPGD 1421/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 GSK3B 600/4885HTR2C 4650/4885HPGD 1399/4885

“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.