SCHEMBL20011989

SCHEMBL20011989

CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.40
KMT2A Q03164 4/20 0.39
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CALCRL Q16602 1/20 0.35
GNRHR P30968 1/20 0.35
TGM2 P21980 1/20 0.35
PABPC1 P11940 1/20 0.35

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
SCHEMBL22551039 0.89 CCR1 (0.45) CCR1
SCHEMBL21853866 0.89 HRH2 (0.38) KMT2AHRH2HRH1MAPK1TSHR
SCHEMBL21853865 0.89 HRH2 (0.38) KMT2AHRH2HRH1MAPK1TSHR
SCHEMBL20011994 0.89 HRH2 (0.38) KMT2AHRH2HRH1MAPK1TSHR
SCHEMBL20012429 0.82 MEN1 (0.42) KMT2ATSHRMEN1ALDH1A1
SCHEMBL20011819 0.82 GPR119 (0.49) KMT2ATSHRMEN1ALDH1A1
SCHEMBL22551025 0.80 CCR1 (0.33) CCR1TSHRALDH1A1LMNA
SCHEMBL22551038 0.79 MBOAT4 (0.39) CCR1TSHRLMNA
SCHEMBL22551034 0.79 MBOAT4 (0.39) CCR1TSHRLMNA
SCHEMBL22551031 0.79 MBOAT4 (0.39) CCR1TSHRLMNA

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 CCR1 1030/4885KMT2A 2656/4885HRH2 3707/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 CCR1 1054/4885KMT2A 2643/4885HRH2 3699/4885

“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.