SCHEMBL375616

SCHEMBL375616

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.77
ALDH1A1 P00352 3/20 0.65
LMNA P02545 1/20 0.65
MAPT P10636 4/20 0.62
HTR6 P50406 3/20 0.57
PLK1 P53350 2/20 0.53
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EGFR P00533 1/20 0.47
INSR P06213 1/20 0.46
IGF1R P08069 1/20 0.46
ALK Q9UM73 1/20 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
SCHEMBL2062143 0.95 SIRT6 (0.77) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL2820845 0.93 SIRT6 (0.70) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL23534178 0.92 SIRT6 (0.65) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL29709935 0.92 SIRT6 (0.65) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL520231 0.91 ALDH1A1 (0.76) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL311491 0.89 ALDH1A1 (0.74) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL3722026 0.88 ALDH1A1 (0.65) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL311063 0.88 ALDH1A1 (0.65) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL26043874 0.88 ALDH1A1 (0.72) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL517566 0.88 ALDH1A1 (0.61) SIRT6ALDH1A1LMNAMAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138492-B Preparation method of ALK inhibitor brigatinib 沈阳药科大学 2022-08-02 CN claimed
CN-111138492-A Preparation method of ALK inhibitor brigatinib 沈阳药科大学 2020-05-12 CN claimed
CN-119735613-A Crystalline forms of 5-chloro-N4- [2- (dimethylphosphoryl) phenyl ] -N2- { 2-methoxy-4- [4- (4-methylpiperazin-1-yl) piperidin-1-yl ] phenyl } pyrimidine-2, 4-diamine 武田药品工业株式会社 2025-04-01 CN disclosed
EP-2300013-B2 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-13 EP disclosed
EP-4393930-A1 CRYSTAL FORMS, PREPARATION METHOD AND APPLICATION OF ARYL PHOSPHINE OXIDE COMPOUND Chengdu Di'Ao Jiuhong Pharmaceutical Factory (CN) 2024-07-03 EP disclosed
CN-118221696-A Pyrimidine heterocyclic compound containing N-methylpiperazine structure, and preparation method and application thereof 潍坊医学院 2024-06-21 CN disclosed
CN-114829352-B Novel deuterated pyrimidine derivative and pharmaceutical composition containing same 昂科比克斯有限公司 2024-05-31 CN disclosed
US-20240051940-A1 SULFONAMIDES WITH EGFR INHIBITION ACTIVITIES AND THEIR USE THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2024-02-15 US disclosed
US-20240043457-A1 CRYSTALLINE FORMS OF 5-CHLORO-N4-[-2-(DIMETHYLPHOSPHORYL) PHENYL]-N2-{2-METHOXY-4-[4[(4-METHYLPIPERAZIN-1-YL) PIPERIDIN-1-YL] PHENYL} PYRIMIDINE-2,4-DIAMINE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-08 US disclosed
CN-111888368-B Crystalline forms of 5-chloro-N4- [2- (dimethylphosphoryl) phenyl ] -N2- { 2-methoxy-4- [4- (4-methylpiperazin-1-yl) piperidin-1-yl ] phenyl } pyrimidine-2, 4-diamine 武田药品工业株式会社 2024-02-02 CN disclosed
WO-2024017258-A1 EGFR SMALL MOLECULE INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2024-01-25 WO disclosed
WO-2010138578-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO 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
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

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-20240051940-A1 SULFONAMIDES WITH EGFR INHIBITION ACTIVITIES AND THEIR USE THEREOF EGFR, ERBB2, ERBB4 SIRT6 2667/4885ALDH1A1 3574/4885LMNA 4763/4885
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-20240043457-A1 CRYSTALLINE FORMS OF 5-CHLORO-N4-[-2-(DIMETHYLPHOSPHORYL) PHENYL]-N2-{2-METHOXY-4-[4[(4-METHYLPIPERAZIN-1-YL) PIPERIDIN-1-YL] PHENYL} PYRIMIDINE-2,4-DIAMINE ERBB2, ERBB4, CDK2 SIRT6 2730/4885ALDH1A1 4265/4885LMNA 2711/4885
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.