SCHEMBL555073

SCHEMBL555073

Cc1ccncc1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
CYP17A1 P05093 4/20 0.47
RAB9A P51151 1/20 0.44
MAP4K1 Q92918 1/20 0.42
METAP1 P53582 1/20 0.41
MAPT P10636 1/20 0.41
GSK3B P49841 1/20 0.41
ATR Q13535 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL7484295 0.92 NAMPT (0.43) NAMPTCYP17A1RAB9AMAP4K1ATR
SCHEMBL2107971 0.88 NAMPT (0.48) NAMPTCYP17A1RAB9AMETAP1ATR
SCHEMBL18522430 0.87 NAMPT (0.50) NAMPTCYP17A1RAB9AMETAP1ATR
SCHEMBL743727 0.86 NAMPT (0.47) NAMPTCYP17A1RAB9AMAP4K1METAP1
SCHEMBL692100 0.83 HPGD (0.49) MAPTGSK3BATRSIRT3TDP1
SCHEMBL13748300 0.83 NAMPT (0.47) NAMPTCYP17A1RAB9AMETAP1ATR
SCHEMBL3229288 0.83 NAMPT (0.47) NAMPTCYP17A1RAB9AMETAP1GSK3B
SCHEMBL30759207 0.83 NAMPT (0.47) NAMPTCYP17A1RAB9AMETAP1ATR
SCHEMBL30114700 0.83 NAMPT (0.47) NAMPTCYP17A1RAB9AMETAP1ATR
SCHEMBL28390904 0.83 NAMPT (0.47) NAMPTCYP17A1RAB9AMETAP1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024411-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
US-20220267349-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-25 US disclosed
EP-4034239-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
CN-114401969-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed
US-20210107921-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
WO-2021058416-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 WO disclosed
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 CN disclosed
US-6359136-B1 AZAINDOLE COMPOUND ELI LILLY AND COMPANY 2002-03-19 US disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed
US-6265416-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-07-24 US disclosed
CN-1068325-C phenyl oxazolidinone antibacterial agents PHARMACIA & UPJOHN CO LLC (US) 2001-07-11 CN disclosed
EP-0997465-A1 Azaindole derivatives and their use as antithrombotic agents ELI LILLY AND COMPANY (US) 2000-05-03 EP disclosed
US-5681959-A DEPROTONATION OF A 2-AMINO-3-ALKYLPYRIDINE WITH AN ALKYLLITHIUM COMPOUND, THEN REACTION WITH AN AMIDE OR ESTER AND TREATMENT WITH A CONCENTRATED ACID FOR CYCLIZATION MERCK, SHARP & DOHME LTD. (GB) 1997-10-28 US disclosed
CN-1162312-A Phenyloxazolidinone antimicrobials PHARMACIA & UPJOHN CO LLC (US) 1997-10-15 CN 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 (4 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-20210107921-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1, CCNY NAMPT 998/4885CYP17A1 2708/4885RAB9A 1000/4885
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT NAMPT 972/4885CYP17A1 2609/4885RAB9A 897/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 NAMPT 2605/4885CYP17A1 2074/4885RAB9A 1146/4885
US-20220267349-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1, CCNY NAMPT 998/4885CYP17A1 2708/4885RAB9A 1000/4885

“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.