SCHEMBL8021773

SCHEMBL8021773

CC(C)C(=O)c1ccnn1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIK3CD O00329 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NAMPT P43490 1/20 0.44
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GPR52 Q9Y2T5 1/20 0.41
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL27278396 0.79 HTT (0.67) HTTKMT2AL3MBTL1PIK3CDNPC1
SCHEMBL9813557 0.78 ALDH1A1 (0.44) HTTKMT2AL3MBTL1PIK3CDNPC1
SCHEMBL262323 0.77
SCHEMBL335332 0.77
SCHEMBL25522136 0.77 MAPK1 (0.42) HTTKMT2AL3MBTL1PIK3CDNPC1
SCHEMBL21657732 0.76 ALDH1A1 (0.56) HTTKMT2AL3MBTL1NPC1RAB9A
SCHEMBL17452806 0.76 ALDH1A1 (0.42) HTTKMT2AL3MBTL1PIK3CDNPC1
SCHEMBL29227816 0.76 PIK3CD (0.47) HTTKMT2AL3MBTL1PIK3CDNPC1
SCHEMBL17452804 0.76 RAB9A (0.50) HTTKMT2AL3MBTL1PIK3CDNPC1
SCHEMBL25530092 0.76 ALDH1A1 (0.35) HTTKMT2AL3MBTL1PIK3CDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
EP-4177249-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-10 EP disclosed
WO-2023072096-A1 TETRAHYDROFURAN-CONTAINING POLYCYCLIC DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 优领医药科技(香港)有限公司 2023-05-04 WO disclosed
WO-2022266015-A1 FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS KUMQUAT BIOSCIENCES INC. (US) 2022-12-22 WO disclosed
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-09 US disclosed
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2020-08-27 US disclosed
US-10669298-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-02 US disclosed
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 US disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-8729114-B2 Heteroaryl nitrile compounds useful as inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-20 US disclosed
US-8729114-B2 Heteroaryl nitrile compounds useful as inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-20 US disclosed
US-20130158018-A1 Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158018-A1 Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 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 (9 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 HTT 4059/4885KMT2A 2467/4885L3MBTL1 3667/4885
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MPI, MANBA, MAN2A1 HTT 4570/4885KMT2A 3518/4885L3MBTL1 2316/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS HTT 406/4885KMT2A 2941/4885L3MBTL1 1892/4885
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS HTT 4045/4885KMT2A 3573/4885L3MBTL1 4172/4885
US-20130158018-A1 Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S CTSS, CTSV, CTSF HTT 1314/4885KMT2A 4356/4885L3MBTL1 3979/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 HTT 4570/4885KMT2A 3518/4885L3MBTL1 2316/4885
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES CYP3A4, CYP4A22, HCCS HTT 4539/4885KMT2A 2941/4885L3MBTL1 3843/4885
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 HTT 3962/4885KMT2A 1854/4885L3MBTL1 4684/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 HTT 4570/4885KMT2A 3518/4885L3MBTL1 2316/4885

“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.