SCHEMBL374834

SCHEMBL374834

CC(C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.68
POLB P06746 1/20 0.63
MAPT P10636 7/20 0.62
LMNA P02545 2/20 0.60
ALDH1A1 P00352 5/20 0.58
ADRB1 P08588 1/20 0.58
ESRRG P62508 1/20 0.58
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.54
AKR1C3 P42330 1/20 0.52

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
SCHEMBL1989595 0.87 SIRT6 (0.64) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL6992319 0.87 SIRT6 (0.64) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL4252494 0.87 SIRT6 (0.64) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL15271381 0.86 SIRT6 (0.81) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL6151230 0.86 SIRT6 (0.81) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL5744480 0.84 SIRT6 (0.60) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL27583941 0.84 SIRT6 (0.60) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL27583942 0.84 SIRT6 (0.60) SIRT6POLBMAPTLMNAALDH1A1
SCHEMBL3771708 0.83 KMT2A (0.71) POLBMAPTLMNAALDH1A1ESRRG
SCHEMBL1045279 0.83 SIRT6 (0.62) SIRT6POLBMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143773-B 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-07-21 CN disclosed
CN-116143773-A 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
CN-116003408-A Heterocyclic compound, and preparation method and application thereof 绵阳市中心医院 2023-04-25 CN disclosed
US-11208655-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2021-12-28 US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
EP-3694509-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 EP disclosed
US-20200115709-A1 Functionally-Modified Oligonucleotides And Subunits Thereof JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-04-16 US disclosed
WO-2019074981-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GiraFpharma LLC (US) 2019-04-18 WO disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 WO disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed
US-6756374-B2 CYCLIN-DEPENDENT KINASE INHIBITORS SUCH AS (4-AMINO-2-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-5-THIAZOLYL) (2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)METHANONE FOR TREATMENT OF BREAST, LUNG, COLON, AND PROSTATE CANCER/TUMORS HOFFMANN-LA ROCHE INC. 2004-06-29 US disclosed
US-20040087594-A1 Diaminothiazoles having antiproliferative activity DING QINGJIE (US) 2004-05-06 US disclosed
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles DING QINGJIE (US) 2004-04-29 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 US disclosed
EP-1358169-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 US disclosed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 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-20040087594-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 SIRT6 732/4885POLB 342/4885MAPT 3064/4885
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 SIRT6 1550/4885POLB 2257/4885MAPT 4445/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 SIRT6 732/4885POLB 342/4885MAPT 3064/4885
US-11208655-B2 Functionally-modified oligonucleotides and subunits thereof RTCB, NSUN3, NSUN2 SIRT6 3520/4885POLB 159/4885MAPT 3393/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 SIRT6 198/4885POLB 3909/4885MAPT 4488/4885
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles CDK4, CDK2, CDKL4 SIRT6 612/4885POLB 361/4885MAPT 2939/4885
US-20200115709-A1 Functionally-Modified Oligonucleotides And Subunits Thereof RTCB, NSUN3, NSUN2 SIRT6 3520/4885POLB 159/4885MAPT 3393/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 SIRT6 1948/4885POLB 2426/4885MAPT 4642/4885

“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.