SCHEMBL310848

SCHEMBL310848

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

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.77
ALDH1A1 P00352 4/20 0.77
SIRT6 Q8N6T7 4/20 0.73
MAPT P10636 12/20 0.61
HTR6 P50406 2/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 2/20 0.49
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL29788578 0.87 ALDH1A1 (1.00) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL6367942 0.87 ALDH1A1 (1.00) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL29800124 0.86 ALDH1A1 (0.97) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL2205195 0.86 ALDH1A1 (0.97) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL310959 0.85 MAPT (0.79) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL20512373 0.85 ALDH1A1 (0.76) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL13395188 0.85 ALDH1A1 (0.56) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL28369226 0.84 ALDH1A1 (0.79) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL520015 0.84 SIRT6 (1.00) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL27057302 0.84 LMNA (0.54) LMNAALDH1A1SIRT6MAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
US-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
CN-116490184-A Compounds for inhibiting EGFR mutant cancers and pharmaceutical uses thereof J2H生物科技有限公司 2023-07-25 CN disclosed
EP-4212522-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H Biotech Inc. (KR) 2023-07-19 EP disclosed
US-20230114177-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ONCOBIX CO., LTD. (KR) 2023-04-13 US disclosed
EP-4079730-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Oncobix Co., Ltd. (KR) 2022-10-26 EP disclosed
CN-113024454-B Synthesis method of brigatinib intermediate 浙江工业大学 2022-09-09 CN disclosed
CN-114829352-A Novel deuterated pyrimidine derivative and pharmaceutical composition containing same 昂科比克斯有限公司 2022-07-29 CN disclosed
CN-113912648-A Diaminopyrimidine compound and composition containing same 深圳市塔吉瑞生物医药有限公司 2022-01-11 CN disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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-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
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 (5 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 LMNA 2828/4885ALDH1A1 3410/4885SIRT6 1497/4885
US-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF EGFR, KRAS, ERBB2 LMNA 4456/4885ALDH1A1 2871/4885SIRT6 2644/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD LMNA 3066/4885ALDH1A1 647/4885SIRT6 2197/4885
US-20230114177-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ALK, EGFR, ERBB3 LMNA 4456/4885ALDH1A1 1074/4885SIRT6 3749/4885
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP LMNA 3760/4885ALDH1A1 583/4885SIRT6 2258/4885

“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.