SCHEMBL591950

SCHEMBL591950

CN1CCN(c2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 9/20 0.62
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTR6 P50406 4/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL589675 0.96 SIRT6 (0.57) SIRT6MAPTALDH1A1HTR6LMNA
SCHEMBL1334925 0.91 SIRT6 (0.76) SIRT6MAPTALDH1A1HTR6LMNA
SCHEMBL27807044 0.88 SIRT6 (0.60) SIRT6MAPTALDH1A1HTR6LMNA
SCHEMBL3512166 0.88 MAPT (0.53) SIRT6MAPTALDH1A1LMNAMAPK1
SCHEMBL31591510 0.87 SIRT6 (0.49) SIRT6MAPTALDH1A1HTR6LMNA
SCHEMBL1375198 0.87 MAPT (0.60) MAPTALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL1894765 0.87 MAPT (0.52) SIRT6MAPTALDH1A1HTR6LMNA
SCHEMBL28900077 0.86 SIRT6 (0.81) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL1888701 0.86 ALDH1A1 (0.51) SIRT6MAPTALDH1A1LMNAMAPK1
SCHEMBL28818852 0.85 SIRT6 (0.54) SIRT6MAPTALDH1A1HTR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024379-B Preparation method and application of 2-amino-4- (4-methyl-1-piperazine) benzoic acid tert-butyl ester 济南国鼎医药科技有限公司 2023-12-12 CN claimed
CN-117024379-A Preparation method and application of 2-amino-4- (4-methyl-1-piperazine) benzoic acid tert-butyl ester 济南国鼎医药科技有限公司 2023-11-10 CN claimed
CN-112939897-A Preparation method and application of broad-spectrum anti-cancer drug enrotinib intermediate 上海珈睿医药科技有限公司 2021-06-11 CN claimed
EP-4603488-A1 NOVEL INDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF Korea University Research and Business Foundation (KR) 2025-08-20 EP disclosed
CN-115916771-B Multi-target antitumor compound and preparation method and application thereof 浙江华海药业股份有限公司 2025-04-01 CN disclosed
WO-2024080780-A1 NOVEL INDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2024-04-18 WO disclosed
CN-117024379-B Preparation method and application of 2-amino-4- (4-methyl-1-piperazine) benzoic acid tert-butyl ester 济南国鼎医药科技有限公司 2023-12-12 CN disclosed
CN-117024379-B Preparation method and application of 2-amino-4- (4-methyl-1-piperazine) benzoic acid tert-butyl ester 济南国鼎医药科技有限公司 2023-12-12 CN disclosed
CN-117024379-A Preparation method and application of 2-amino-4- (4-methyl-1-piperazine) benzoic acid tert-butyl ester 济南国鼎医药科技有限公司 2023-11-10 CN disclosed
CN-117024379-A Preparation method and application of 2-amino-4- (4-methyl-1-piperazine) benzoic acid tert-butyl ester 济南国鼎医药科技有限公司 2023-11-10 CN disclosed
CN-116410159-B Preparation method and application of En Qu Ti-Ni intermediate 济南国鼎医药科技有限公司 2023-08-22 CN disclosed
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-22 US disclosed
EP-1999131-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-10 EP disclosed
EP-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 EP disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 WO disclosed
WO-2007099171-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-09-07 WO disclosed
WO-2007099171-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-09-07 WO disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 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 (1 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-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 SIRT6 1409/4885MAPT 2600/4885ALDH1A1 2295/4885

“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.