SCHEMBL29470076

SCHEMBL29470076

COc1ccc(Cn2ncc(-c3nc(Cl)c(Cl)c(N4CCN(C(=O)OC(C)(C)C)CC(F)(F)C4)n3)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.44
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
KDM1A O60341 1/20 0.38
GPR119 Q8TDV5 5/20 0.37
CACNA1H O95180 1/20 0.37
TLR9 Q9NR96 1/20 0.35
P2RX7 Q99572 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL20140956 1.00 CNR2 (0.44) CNR2MAPTSMN1; SMN2LMNAKDM1A
SCHEMBL20139164 0.90 CNR2 (0.43) CNR2MAPTSMN1; SMN2LMNACACNA1H
SCHEMBL20154087 0.88 CNR2 (0.42) CNR2MAPTSMN1; SMN2LMNAKDM1A
SCHEMBL21531620 0.77 CNR2 (0.42) CNR2SMN1; SMN2CACNA1HTP53ALDH1A1
SCHEMBL20011907 0.77 GPR119 (0.46) GPR119
SCHEMBL30063195 0.77 GPR119 (0.46) GPR119
SCHEMBL20012043 0.73 POLB (0.38) CNR2MAPTSMN1; SMN2LMNAGPR119
SCHEMBL20139189 0.72 GBA1 (0.38) CNR2SMN1; SMN2GPR119HTTNPSR1
SCHEMBL30234939 0.72 GBA1 (0.38) CNR2SMN1; SMN2GPR119HTTNPSR1
SCHEMBL30060981 0.72 GBA1 (0.40) GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11766434-B2 Pyrimidinone derivatives as CDC7 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-26 US disclosed
CN-110088100-B Pyrimidone derivatives as CDC7 inhibitors 癌症研究科技有限公司 2023-02-17 CN disclosed
US-20220079942-A1 PYRIMIDINONE DERIVATIVES AS CDC7 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-03-17 US 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-11766434-B2 Pyrimidinone derivatives as CDC7 inhibitors CDC7, CDK7, CDK17 CNR2 4554/4885MAPT 2853/4885SMN1; SMN2 3498/4885
US-20220079942-A1 PYRIMIDINONE DERIVATIVES AS CDC7 INHIBITORS CDC7, CDK7, CDK17 CNR2 4554/4885MAPT 2853/4885SMN1; SMN2 3498/4885

“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.