SCHEMBL20011961

SCHEMBL20011961

O=C(N1CCCN(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
KIT P10721 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
SLC2A1 P11166 1/20 0.35
GRIA1 P42261 3/20 0.34
GRIA2 P42262 3/20 0.34
GRIA3 P42263 3/20 0.34
GRIA4 P48058 3/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
PKM P14618 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 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
SCHEMBL20011999 0.96 P2RX7 (0.38) P2RX7KITCNR2CNR1SLC2A1
SCHEMBL22551028 0.84 ALDH1A1 (0.41) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL19995736 0.83 MAPT (0.43) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL20011829 0.83 CYP17A1 (0.46) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL20012007 0.82 MAPT (0.43) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL20012119 0.82 MAPT (0.43) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL22563165 0.81 HPGD (0.39) KITSLC2A1HPGDALDH1A1MAPT
SCHEMBL20011958 0.80 TNKS (0.36) SLC2A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL20011984 0.80 GCGR (0.38) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL20012216 0.80 MAPT (0.40) GRIA1GRIA2GRIA3GRIA4HPGD

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 P2RX7 814/4885KIT 1197/4885CNR2 4129/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 P2RX7 876/4885KIT 1198/4885CNR2 4144/4885

“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.