SCHEMBL456674

SCHEMBL456674

Cc1ccc(Br)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.49
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LCK P06239 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NLRP3 Q96P20 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL29991534 1.00 AAK1 (0.49) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL4975833 0.88 AAK1 (0.52) AAK1NPC1RAB9ASMN1; SMN2LCK
SCHEMBL31167627 0.88 AAK1 (0.52) AAK1NPC1RAB9ASMN1; SMN2LCK
SCHEMBL30175900 0.87 AAK1 (0.49) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL1519234 0.87 AAK1 (0.49) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL24509457 0.86 AAK1 (0.48) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL4568018 0.85 NLRP3 (0.55) RAB9ASMN1; SMN2LMNANPSR1CYP1A2
SCHEMBL10006006 0.85 AAK1 (0.46) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL6176599 0.84 AAK1 (0.47) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL12445322 0.83 AAK1 (0.48) AAK1NPC1RECQLRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980412-B1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-08-13 EP disclosed
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2025-06-03 US disclosed
US-20250084012-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-03-13 US disclosed
EP-4461715-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUPS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-11-13 EP disclosed
WO-2023132353-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUPS 中外製薬株式会社 2023-07-13 WO disclosed
US-20220259188-A1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2022-08-18 US disclosed
EP-3980412-A2 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2022-04-13 EP disclosed
EP-3078744-B1 ANTIGEN-BINDING MOLECULES, THE ANTIGEN-BINDING ACTIVITY OF WHICH VARIES ACCORDING TO THE CONCENTRATION OF COMPOUNDS, AND LIBRARIES OF SAID MOLECULES CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-08-26 EP disclosed
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 CN disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012066065-A1 PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-05-24 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 AAK1 3572/4885NPC1 912/4885RECQL 1356/4885
US-20220259188-A1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, PARK7, BRSK2 AAK1 125/4885NPC1 982/4885RECQL 731/4885
US-20250084012-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUP TERT, MGMT, MITF AAK1 4521/4885NPC1 1908/4885RECQL 2352/4885
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, BRSK2 AAK1 125/4885NPC1 982/4885RECQL 731/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 AAK1 770/4885NPC1 3265/4885RECQL 3616/4885

“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.