SCHEMBL375364

SCHEMBL375364

COc1cc(OC2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.57
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTR6 P50406 1/20 0.44
AURKA O14965 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
TTK P33981 1/20 0.42
NEK2 P51955 1/20 0.42
PLK1 P53350 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 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
SCHEMBL29446151 1.00 SIRT6 (0.57) SIRT6ALDH1A1LMNAMAPTMAOA
SCHEMBL15994855 0.94 SIRT6 (0.53) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL1781593 0.94 SIRT6 (0.53) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL375370 0.93 SIRT6 (0.51) SIRT6ALDH1A1LMNAMAPTMAOA
SCHEMBL16701931 0.90 SIRT6 (0.53) SIRT6ALDH1A1LMNAMAPTTGFBR1
SCHEMBL3716253 0.87 SIRT6 (0.47) SIRT6ALDH1A1LMNAMAPTCDK2
SCHEMBL26087309 0.87 ALDH1A1 (0.51) SIRT6ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL956959 0.87 MAOA (0.48) SIRT6ALDH1A1LMNAMAPTMAOA
SCHEMBL1782418 0.86 MAPT (0.53) SIRT6ALDH1A1LMNAMAPTMAOA
SCHEMBL1115458 0.86 SIRT6 (0.44) SIRT6ALDH1A1LMNAMAPTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-06 US disclosed
EP-3283642-B1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RES CENTER HOLDING B V (NL) 2023-10-11 EP disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
CN-114592061-A Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2022-06-07 CN disclosed
CN-107567503-B Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2022-03-22 CN disclosed
US-20220056540-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2022-02-24 US disclosed
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2021-12-28 US disclosed
US-20190211401-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2019-07-11 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2006-11-02 US disclosed
EP-1660458-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2006-05-31 EP disclosed
EP-1606265-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2005-12-21 EP disclosed
WO-2005016894-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2005-02-24 WO disclosed
WO-2004080980-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2004-09-23 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-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L SIRT6 2343/4885ALDH1A1 393/4885LMNA 1143/4885
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK SIRT6 4627/4885ALDH1A1 2286/4885LMNA 1795/4885
US-20220056540-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY TTBK1, CTNNB1, TTK SIRT6 4627/4885ALDH1A1 2286/4885LMNA 1795/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD SIRT6 2197/4885ALDH1A1 647/4885LMNA 3066/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 SIRT6 2019/4885ALDH1A1 422/4885LMNA 1996/4885
US-20190211401-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY TTBK1, CTNNB1, TTK SIRT6 4627/4885ALDH1A1 2286/4885LMNA 1795/4885
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK SIRT6 4627/4885ALDH1A1 2286/4885LMNA 1795/4885
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP SIRT6 2258/4885ALDH1A1 583/4885LMNA 3760/4885

“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.