SCHEMBL20012432

SCHEMBL20012432

O=c1[nH]c(-c2ccnc(F)c2)nc(N2CCCC(F)(F)C2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
GRIA1 P42261 1/20 0.36
GRM4 Q14833 2/20 0.36
KCNH2 Q12809 3/20 0.35
CGAS Q8N884 1/20 0.35
FFAR2 O15552 1/20 0.35
LRRK2 Q5S007 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.32
CNR2 P34972 1/20 0.32
F2RL1 P55085 1/20 0.32
ADORA1 P30542 1/20 0.32
AKT1 P31749 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32

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
SCHEMBL30062271 1.00 JAK2 (0.37) JAK2GRIA1GRM4KCNH2CGAS
SCHEMBL20012026 0.92 SCN10A (0.39) KCNH2SCN10A
SCHEMBL20012019 0.87 KCNH2 (0.42) JAK2KCNH2SCN10AADORA1PARP10
SCHEMBL20011800 0.86 CDC42BPB (0.38)
SCHEMBL20011985 0.86 GRIA1 (0.37) JAK2GRIA1GRM4FFAR2LRRK2
SCHEMBL19996107 0.86 KCNH2 (0.40) KCNH2PARP10PARP11
SCHEMBL19995615 0.86 KCNH2 (0.41) JAK2KCNH2CGASPARP10PARP11
SCHEMBL22563153 0.86 KCNH2 (0.41) JAK2KCNH2SCN10AADORA1PARP10
SCHEMBL21853854 0.86 KCNH2 (0.41) JAK2KCNH2SCN10AADORA1PARP10
SCHEMBL20011976 0.85 ROCK1 (0.41) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 JAK2 1378/4885GRIA1 2503/4885GRM4 4584/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 JAK2 1389/4885GRIA1 2562/4885GRM4 4585/4885

“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.