SCHEMBL3607693

SCHEMBL3607693

CC(C)(C)OC(=O)Nc1cc(Br)sc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.42
PTPN1 P18031 5/20 0.37
BRD9 Q9H8M2 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP17A1 P05093 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
METAP1 P53582 1/20 0.35
PTPRF P10586 1/20 0.35

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
SCHEMBL6192110 0.93 LCK (0.38) LCKPTPN1BRD9CA1CA2
SCHEMBL3610995 0.87 LCK (0.41) LCKCA1CA2RXFP1METAP1
SCHEMBL101455 0.87 RAF1 (0.42) LCK
SCHEMBL22774869 0.83 LCK (0.41) LCKBRD9CA1CA2CYP17A1
SCHEMBL21712632 0.83 CTSS (0.48) CA2
SCHEMBL21712631 0.83 CTSS (0.48) CA2
SCHEMBL668558 0.82 RAF1 (0.49) RXFP1
SCHEMBL22774665 0.82 LCK (0.43) LCKBRD9CA1CA2CYP17A1
SCHEMBL28449432 0.82 CTSS (0.47)
SCHEMBL22774510 0.81 LCK (0.40) LCKBRD9CA1CA2CYP17A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661770-B Compound and method for preparing substituted [5,6] cyclo-4 (3H) -pyrimidone compound by using same 南京正济医药研究有限公司 2022-11-08 CN disclosed
WO-2022134147-A1 COMPOUND AND METHOD FOR PREPARING SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDONE COMPOUND FROM SAME 南京正济医药研究有限公司 2022-06-30 WO disclosed
CN-112661770-A Compound and method for preparing substituted [5,6] ring-4 (3H) -pyrimidone compound by using same 南京正济医药研究有限公司 2021-04-16 CN disclosed
CN-112409373-A Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents 南京正济医药研究有限公司 2021-02-26 CN disclosed
CN-110381950-B Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents 南京正济医药研究有限公司 2020-09-04 CN disclosed
US-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents ZENJI RESEARCH LABORATORIES (CN) 2020-08-18 US disclosed
US-20200055867-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS ZENJI RESEARCH LABORATORIES (CN) 2020-02-20 US disclosed
WO-2018217439-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS ZHANG HAI JUN (US) 2018-11-29 WO disclosed
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
EP-1421079-B1 THIOPHENYL COMPOUNDS AS MEDICAMENTS ASTRAZENECA AB (SE) 2007-02-07 EP disclosed
US-7098240-B2 Compounds ASTRAZENECA AB (SE) 2006-08-29 US disclosed
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-05-25 US disclosed
US-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1583755-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
US-20040235821-A1 Novel compounds ASTRAZENECA AB (SE) 2004-11-25 US disclosed
WO-2004063186-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME IKK-2 ASTRAZENECA AB (SE) 2004-07-29 WO disclosed
EP-1421079-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010163-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (5 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-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 NFKBIA, RELA, IKBKE LCK 226/4885PTPN1 1070/4885BRD9 556/4885
US-20200055867-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS CDC7, CDK7, CDK17 LCK 1029/4885PTPN1 3174/4885BRD9 1617/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK LCK 373/4885PTPN1 1391/4885BRD9 587/4885
US-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents CDC7, CDK7, CDK17 LCK 1029/4885PTPN1 3174/4885BRD9 1617/4885
US-20040235821-A1 Novel compounds ABCG2, UGT1A1, SULT1E1 LCK 2825/4885PTPN1 2491/4885BRD9 1973/4885

“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.