SCHEMBL1817649

SCHEMBL1817649

CN(C(=O)OC(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.49
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
BRD4 O60885 2/20 0.42
CREBBP Q92793 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
PPIB P23284 2/20 0.37
MT-CO2 P00403 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
TSHR P16473 2/20 0.35

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
SCHEMBL8018111 0.91 PAX8 (0.55) PAX8MAPK1BRD4CREBBPNPSR1
SCHEMBL6914487 0.84 CYP3A4 (0.39) PAX8MAPK1ALDH1A1CYP3A4TDP1
SCHEMBL19998349 0.84 MT-CO2 (0.46) PAX8MAPK1ALDH1A1CYP3A4TDP1
SCHEMBL19998347 0.84 MT-CO2 (0.46) PAX8MAPK1ALDH1A1CYP3A4TDP1
SCHEMBL3364970 0.84 PAX8 (0.50) PAX8MAPK1BRD4CREBBPNPSR1
SCHEMBL14384381 0.84 PAX8 (0.50) PAX8ALDH1A1CYP3A4BRD4CREBBP
SCHEMBL18067970 0.83 PPIB (0.40) PAX8MAPK1ALDH1A1CYP3A4TDP1
SCHEMBL19531657 0.83 PAX8 (0.47) PAX8MAPK1ALDH1A1BRD4CREBBP
SCHEMBL24448783 0.82 NPSR1 (0.58) PAX8MAPK1ALDH1A1BRD4CREBBP
SCHEMBL4015896 0.82 PAX8 (0.49) PAX8ALDH1A1TDP1BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837493-B The synthetic method and its intermediate of Nintedanib 东南大学 2018-12-14 CN claimed
CN-105837493-A A synthetic method of Nintedanib and an intermediate of Nintedanib 东南大学 2016-08-10 CN claimed
US-12569563-B2 Selective HDAC6 degraders and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-03-10 US disclosed
EP-4667461-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON S AND GAUCHER DISEASE Children's Hospital Medical Center (US) 2025-12-24 EP disclosed
US-20250382274-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S AND GAUCHER DISEASE CHILDRENS HOSPITAL MED CT (US) 2025-12-18 US disclosed
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-04-10 US disclosed
EP-4486390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF Terremoto Biosciences, Inc (US) 2025-01-08 EP disclosed
US-20240246980-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2024-07-25 US disclosed
WO-2024092222-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2024-05-02 WO disclosed
US-20230406812-A1 NOVEL AMINOAROMATIC COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES COMPRISING SAME AS ACTIVE INGREDIENT INSTITUTE FOR BASIC SCIENCE (KR) 2023-12-21 US disclosed
EP-4245749-A1 NOVEL AMINOAROMATIC COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES COMPRISING SAME AS ACTIVE INGREDIENT Institute for Basic Science (KR) 2023-09-20 EP disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
CN-1665789-A Diaminopyrimidinecarboxa mide derivative YAMANOUCHI PHARMA CO LTD (JP) 2005-09-07 CN disclosed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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 (7 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-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF AKT1, AKT1S1, AKT2 PAX8 3642/4885MAPK1 232/4885ALDH1A1 4472/4885
US-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD PAX8 3975/4885MAPK1 839/4885ALDH1A1 252/4885
US-20240246980-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS MRGPRX1, MRGPRX2, MRGPRX4 PAX8 3020/4885MAPK1 1069/4885ALDH1A1 3740/4885
US-20250382274-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S AND GAUCHER DISEASE GBA1, GAA, GBA2 PAX8 3763/4885MAPK1 3672/4885ALDH1A1 1073/4885
US-20230406812-A1 NOVEL AMINOAROMATIC COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES COMPRISING SAME AS ACTIVE INGREDIENT HTT, SNCA, ATXN2 PAX8 3914/4885MAPK1 2059/4885ALDH1A1 1074/4885
US-12569563-B2 Selective HDAC6 degraders and methods of use thereof HDAC6, HDAC1, HDAC11 PAX8 4149/4885MAPK1 3197/4885ALDH1A1 1630/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR PAX8 4868/4885MAPK1 420/4885ALDH1A1 605/4885

“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.