SCHEMBL426360

SCHEMBL426360

CN1CCC(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.58
SIRT6 Q8N6T7 1/20 0.56
LMNA P02545 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
QDPR P09417 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
PRKCA P17252 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ACHE P22303 1/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL7529885 0.91 SMN1; SMN2 (0.52) SLC18A3SIRT6LMNAALDH1A1HPGD
SCHEMBL520922 0.86 KMT2A (0.53) SLC18A3SIRT6LMNAALDH1A1HPGD
SCHEMBL520243 0.85 ALDH1A1 (0.55) SLC18A3SIRT6LMNAALDH1A1HPGD
SCHEMBL13247538 0.85 SLC18A3 (0.48) SLC18A3SIRT6LMNAALDH1A1HPGD
SCHEMBL15911925 0.83 SLC18A3 (0.57) SLC18A3LMNAALDH1A1POLBACHE
SCHEMBL1066991 0.83 SLC18A3 (0.57) SLC18A3LMNAALDH1A1POLBACHE
SCHEMBL29106607 0.83 SLC18A3 (0.58) SLC18A3SIRT6LMNAALDH1A1HPGD
SCHEMBL27496791 0.83 SLC18A3 (0.58) SLC18A3LMNAALDH1A1HPGDPOLB
SCHEMBL4732675 0.82 SLC18A3 (0.55) SLC18A3SIRT6LMNAALDH1A1HPGD
SCHEMBL1475593 0.82 SLC18A3 (0.55) SLC18A3SIRT6LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US claimed
US-11993603-B2 Preparation for 6-amino-1H-pyrazolo[3,4-d]pyrimidine-based JAK kinase inhibitor and application thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES & PEKING UNION MEDICAL COLLEGE (CN) 2024-05-28 US disclosed
CN-108690006-B Compound and application thereof in anti-AML (AML) drugs 中国药科大学 2022-02-18 CN disclosed
US-20220048914-A1 PREPARATION FOR 6-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDINE-BASED JAK KINASE INHIBITOR AND APPLICATION THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2022-02-17 US disclosed
CN-110885331-B Preparation and application of 6-amino-1H-pyrazolo [3, 4-d ] pyrimidine JAK kinase inhibitor 中国药科大学 2021-07-09 CN disclosed
WO-2020052489-A1 PREPARATION FOR 6-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDINE-BASED JAK KINASE INHIBITOR AND APPLICATION THEREOF 中国药科大学 2020-03-19 WO disclosed
CN-110885331-A Preparation and application of novel 6-amino-1H-pyrazolo [3, 4-d ] pyrimidine JAK kinase inhibitor 中国药科大学 2020-03-17 CN disclosed
CN-108690006-A A kind of compound and its purposes in anti-AML drugs 中国药科大学 2018-10-23 CN disclosed
CN-103408540-B 2-azoles ring substituted thiophene class PLK1 inhibitor and uses thereof and uses thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2016-05-18 CN disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 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 (8 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 SLC18A3 4635/4885SIRT6 2716/4885LMNA 4524/4885
US-20220048914-A1 PREPARATION FOR 6-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDINE-BASED JAK KINASE INHIBITOR AND APPLICATION THEREOF JAK1, JAK3, SSB SLC18A3 4809/4885SIRT6 1296/4885LMNA 3745/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC SLC18A3 1114/4885SIRT6 783/4885LMNA 1555/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SLC18A3 2669/4885SIRT6 416/4885LMNA 2597/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SLC18A3 2669/4885SIRT6 416/4885LMNA 2597/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SLC18A3 680/4885SIRT6 464/4885LMNA 2403/4885
US-11993603-B2 Preparation for 6-amino-1H-pyrazolo[3,4-d]pyrimidine-based JAK kinase inhibitor and application thereof JAK1, JAK3, SSB SLC18A3 4809/4885SIRT6 1296/4885LMNA 3745/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SLC18A3 680/4885SIRT6 464/4885LMNA 2403/4885

“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.