SCHEMBL19995301

SCHEMBL19995301

O=C(C1CC1(F)F)N1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
MAPK11 Q15759 3/20 0.34
MAPK14 Q16539 3/20 0.34
NAMPT P43490 2/20 0.34
KCNH2 Q12809 1/20 0.34
IRAK1 P51617 1/20 0.34
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
NSD2 O96028 2/20 0.33
JAK3 P52333 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL21853834 0.84 ALDH1A1 (0.40) GRIA1GRIA2GRIA3GRIA4MAPK11
SCHEMBL20011817 0.83 MAPK11 (0.48) GRIA1GRIA2GRIA3GRIA4MAPK11
SCHEMBL20012214 0.83 TNKS (0.38) TLR9TLR8TLR7GRIA1GRIA2
SCHEMBL20012410 0.81 SMN1; SMN2 (0.39) TLR9TLR8TLR7GRIA1GRIA2
SCHEMBL20011837 0.81 CYP3A4 (0.38) TLR9TLR8TLR7GRIA1GRIA2
SCHEMBL20011838 0.80 NAMPT (0.38) TLR9TLR8TLR7GRIA1GRIA2
SCHEMBL30060715 0.80 NAMPT (0.38) TLR9TLR8TLR7GRIA1GRIA2
SCHEMBL20011818 0.80 HTR2B (0.44) CYP2C19ALDH1A1MAPTHPGDALOX15
SCHEMBL20139176 0.79 TLR9 (0.38) TLR9TLR8TLR7JAK2JAK1
SCHEMBL20011995 0.79 PRMT5 (0.42) GRIA1GRIA2GRIA3GRIA4MAPK11

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 TLR9 3990/4885TLR8 3635/4885TLR7 1376/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 TLR9 4027/4885TLR8 3647/4885TLR7 1410/4885

“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.