SCHEMBL1003155

SCHEMBL1003155

CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 2/20 0.44
EPHX1 P07099 1/20 0.40
NR1H2 P55055 1/20 0.39
HPGD P15428 1/20 0.38
PIK3R1 P27986 5/20 0.38
PIK3CA P42336 5/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL2870539 0.88 CYP4F2 (0.43) EPHX2PIK3R1PIK3CATSHRPIK3CD
SCHEMBL1003106 0.87 EPHX2 (0.46) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL23011175 0.85 DRD2 (0.36)
SCHEMBL428600 0.85 NR1H2 (0.41) USP2SMN1; SMN2EPHX2EPHX1NR1H2
SCHEMBL56916 0.84 TDP1 (0.41) EPHX1
SCHEMBL23120825 0.83 CYP4F2 (0.39) EPHX2PIK3R1PIK3CATSHRPIK3CD
SCHEMBL22469470 0.82 PIK3R1 (0.41) USP2SMN1; SMN2EPHX2EPHX1NR1H2
SCHEMBL5521873 0.81 P2RX7 (0.42) EPHX1
SCHEMBL1368840 0.81 P2RX7 (0.40) EPHX1
SCHEMBL607180 0.81 MEN1 (0.46) TSHRALOX15ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719018-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2025-08-27 EP disclosed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
CN-111410662-B Tyrosine kinase inhibitor 苏州信诺维医药科技有限公司 2020-12-29 CN disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
CN-111410662-A Tyrosine kinase inhibitor 苏州信诺维医药科技有限公司 2020-07-14 CN disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
US-9006430-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein ASTEX THERAPEUTICS LIMITED (GB) 2015-04-14 US disclosed
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-10-09 US disclosed
EP-2272517-B1 Ortho-condensed pyridine and pyrimidine derivatives ( e.g. purines ) as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-10-01 EP disclosed
US-20140107137-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-04-17 US disclosed
US-8546407-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein kinases inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2013-10-01 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
EP-1812004-B1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2011-06-22 EP disclosed
EP-2272517-A1 Ortho-condensed pyridine and pyrimidine derivatives ( e.g. purines ) as protein kinases inhibitors Astex Therapeutics Limited (GB) 2011-01-12 EP disclosed
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 US disclosed
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2009-10-01 US disclosed
EP-2043655-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-04-08 EP disclosed
WO-2007125321-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2006046024-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 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-20140107137-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK1, CDK2, CDK3 USP2 3392/4885SMN1; SMN2 3935/4885EPHX2 1657/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO USP2 4865/4885SMN1; SMN2 2548/4885EPHX2 1264/4885
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK2, CDK1, OXSR1 USP2 3346/4885SMN1; SMN2 3889/4885EPHX2 1551/4885
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS CDK2, CDK1, CDK3 USP2 3378/4885SMN1; SMN2 3968/4885EPHX2 1614/4885
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS TPMT, CNKSR1, PRKD3 USP2 4017/4885SMN1; SMN2 1489/4885EPHX2 3361/4885

“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.