SCHEMBL19995249

SCHEMBL19995249

COC(=O)C(Cl)C(=O)CCl

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 2/20 0.30
CA12 O43570 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1398170 0.81 CA1 (0.38) SMN1; SMN2CA1CA2CA14ZDHHC7
SCHEMBL3525495 0.79 CA1 (0.37) SMN1; SMN2CA1CA2CA14ZDHHC7
SCHEMBL3875800 0.79 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL7300819 0.79 MGAM (0.42) SMN1; SMN2CA1CA2CA14ZDHHC7
SCHEMBL453120 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA14ZDHHC7
SCHEMBL628846 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2CA14ZDHHC7
SCHEMBL1554465 0.74 CA1 (0.46) CA1CA2ZDHHC7KMT2AMEN1
SCHEMBL28959516 0.73 ALDH1A1 (0.47) SMN1; SMN2TSHRALDH1A1
SCHEMBL28534575 0.73 ALDH1A1 (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4110912 0.72

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 13 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 disclosed
CN-112500290-B Method for synthesizing 4-chloroacetoacetic acid methyl ester or 4-chloroacetoacetic acid ethyl ester 江苏恒安化工有限公司 2021-07-30 CN disclosed
CN-112500290-A Method for synthesizing 4-chloroacetoacetic acid methyl ester or 4-chloroacetoacetic acid ethyl ester 江苏恒安化工有限公司 2021-03-16 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
CN-106467492-B preparation method of polyfluoromethyl pyrazole compound, intermediate and preparation method 联化科技(盐城)有限公司 2019-12-17 CN 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 SMN1; SMN2 3112/4885CA1 4721/4885CA2 3802/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 SMN1; SMN2 3072/4885CA1 4701/4885CA2 3811/4885

“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.