SCHEMBL1003179

SCHEMBL1003179

CCn1c(=O)[nH]c2ncnc(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.46
ADORA2A P29274 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
CYP3A4 P08684 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.39
CDK1 P06493 1/20 0.39
ADORA3 P0DMS8 3/20 0.38
ADORA2B P29275 3/20 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
SCHEMBL19632376 0.83 PDE4A (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL1003427 0.81 PARN (0.48) CYP3A4MEN1KMT2ASMN1; SMN2BRD4
SCHEMBL21392440 0.80 PDE4A (0.43) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL2063240 0.79 CDK1 (0.50) ADORA2ACYP3A4MEN1KMT2ALMNA
SCHEMBL30890059 0.79 CDK1 (0.50) ADORA2ACYP3A4MEN1KMT2ALMNA
SCHEMBL2062763 0.75 CYP3A4 (0.38) CYP3A4MEN1CYP1A2KMT2ALMNA
SCHEMBL26925735 0.69 CYP3A4 (0.66) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL10812168 0.69 PDE4A (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL30013079 0.68 ADORA2A (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL25457796 0.66 CDK1 (0.36) PDE4AADORA2APDE4BPDE4CPDE4D

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 47 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
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-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
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-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-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
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-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 (2 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 PDE4A 2989/4885ADORA2A 700/4885PDE4B 2711/4885
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS TPMT, CNKSR1, PRKD3 PDE4A 707/4885ADORA2A 8/4885PDE4B 881/4885

“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.