SCHEMBL4740302

SCHEMBL4740302

CCOC(=O)c1cnc2[nH]ncc2c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.58
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.51
CHEK1 O14757 1/20 0.50
CHEK2 O96017 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
NUDT1 P36639 1/20 0.43
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8311913 0.87 PDE4B (0.59) PDE4BKMT2AMEN1ALDH1A1CHEK1
SCHEMBL14115714 0.86 PDE4B (0.60) PDE4BKMT2AMEN1ALDH1A1CHEK1
SCHEMBL2772466 0.83 PDE4B (0.58) PDE4BKMT2AMEN1ALDH1A1CHEK1
SCHEMBL5173971 0.83 PDE4B (0.55) PDE4BKMT2AMEN1ALDH1A1CHEK1
SCHEMBL5962688 0.80 PDE4B (0.50) PDE4BKMT2AMEN1ALDH1A1CHEK1
SCHEMBL566667 0.80 NUDT1 (0.65) KMT2AMEN1NUDT1JAK1JAK3
SCHEMBL29764006 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1NPC1KDM4E
SCHEMBL12887883 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1NPC1KDM4E
SCHEMBL29477133 0.80 NUDT1 (0.65) KMT2AMEN1NUDT1JAK1JAK3
SCHEMBL14353567 0.79 NUDT1 (0.64) PDE4BKMT2AMEN1ALDH1A1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP 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-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
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-8809336-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein kinases inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-08-19 US 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-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
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
WO-2008075007-A1 MORPHOLINO-SUBSTITUTED BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS ANTI CANCER AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO disclosed
WO-2007125321-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
US-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 US disclosed
US-4061632-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4000277-A 3,11-Dihydro- 6H-pyrazolo[1,5-a]pyrazolo[4',3':5,6]pyrido[4,3-d]pyrimidin-6-one and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-12-28 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 (3 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-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK2, CDK1, OXSR1 PDE4B 2711/4885KMT2A 1446/4885MEN1 3990/4885
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS CDK2, CDK1, CDK3 PDE4B 2715/4885KMT2A 1475/4885MEN1 4023/4885
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS TPMT, CNKSR1, PRKD3 PDE4B 881/4885KMT2A 2482/4885MEN1 3013/4885

“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.