SCHEMBL20011958

SCHEMBL20011958

O=c1[nH]c(-c2ccncc2)nc(N2CCCN(CC(F)(F)F)CC2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
SLC2A1 P11166 1/20 0.35
ROCK1 Q13464 4/20 0.35
GRIA1 P42261 3/20 0.35
GRIA2 P42262 3/20 0.35
GRIA3 P42263 3/20 0.35
GRIA4 P48058 3/20 0.35
ROCK2 O75116 3/20 0.35
CDC7 O00311 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL19995679 0.96 SLC2A1 (0.37) TNKSPARP1TNKS2PARP10PARP2
SCHEMBL22563169 0.87 MAPK13 (0.36) TNKSPARP1TNKS2PARP10PARP2
SCHEMBL19995459 0.87 KCNH2 (0.39) METAP2HRH4
SCHEMBL20011956 0.85 PRKCI (0.42) ROCK1ROCK2HPGDPRKCIHRH4
SCHEMBL21853849 0.85 TNKS (0.36) TNKSPARP1TNKS2PARP10PARP2
SCHEMBL20011982 0.85 ROCK2 (0.51) TNKSPARP1TNKS2PARP10PARP2
SCHEMBL20011875 0.85 SLC2A1 (0.35) TNKSPARP1TNKS2PARP10PARP2
SCHEMBL19995736 0.84 MAPT (0.43) ROCK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL20012007 0.83 MAPT (0.43) ROCK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL20012119 0.83 MAPT (0.43) ROCK1GRIA1GRIA2GRIA3GRIA4

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 TNKS 314/4885PARP1 673/4885TNKS2 387/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 TNKS 330/4885PARP1 688/4885TNKS2 397/4885

“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.