SCHEMBL20011999

SCHEMBL20011999

O=C(N1CCN(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 0.38
KIT P10721 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SLC2A1 P11166 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GRIA1 P42261 3/20 0.36
GRIA2 P42262 3/20 0.36
GRIA3 P42263 3/20 0.36
GRIA4 P48058 3/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
AKR1C3 P42330 1/20 0.35
TRPA1 O75762 1/20 0.34
ABL1 P00519 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
SCHEMBL20011961 0.96 P2RX7 (0.36) P2RX7KITCNR1CNR2SLC2A1
SCHEMBL22551028 0.87 ALDH1A1 (0.41) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL20011829 0.86 CYP17A1 (0.46) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL22563165 0.85 HPGD (0.39) KITSLC2A1ALDH1A1MAPTHPGD
SCHEMBL19995367 0.83 KIT (0.45) KITGRIA1
SCHEMBL20012005 0.83 KIT (0.43) KIT
SCHEMBL19995736 0.82 MAPT (0.43) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL20012214 0.82 TNKS (0.38) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL20012001 0.81 MAPK13 (0.46) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL19995679 0.81 SLC2A1 (0.37) SLC2A1ALDH1A1MAPTHPGDALOX15

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 1197/4885CNR1 3146/4885
US-20200123157-A1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVE CDC7, CDK7, CDK17 P2RX7 876/4885KIT 1198/4885CNR1 3150/4885

“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.