SCHEMBL1003329

SCHEMBL1003329

NC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK3 Q13188 8/20 0.81
CDC7 O00311 2/20 0.81
MARK3 P27448 2/20 0.81
ROCK2 O75116 2/20 0.81
ROCK1 Q13464 2/20 0.81
PLK4 O00444 1/20 0.81
CHEK1 O14757 1/20 0.81
AURKA O14965 1/20 0.81
PDPK1 O15530 1/20 0.81
JAK2 O60674 1/20 0.81
PAK4 O96013 1/20 0.81
CHEK2 O96017 1/20 0.81
EGFR P00533 1/20 0.81
NTRK1 P04629 1/20 0.81
PRKCG P05129 1/20 0.81
INSR P06213 1/20 0.81
LCK P06239 1/20 0.81
FYN P06241 1/20 0.81
CDK1 P06493 1/20 0.81
LYN P07948 1/20 0.81

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
SCHEMBL15401270 0.87 LRRK2 (1.00) STK3CDC7MARK3ROCK2ROCK1
SCHEMBL15401984 0.86 LRRK2 (1.00) STK3CDC7MARK3ROCK2ROCK1
SCHEMBL28000043 0.85 STK3 (0.74) STK3CDC7MARK3ROCK2ROCK1
SCHEMBL3535044 0.85 LRRK2 (1.00) STK3CDC7MARK3ROCK2ROCK1
SCHEMBL15400907 0.84 LRRK2 (1.00) STK3CDC7MARK3ROCK2ROCK1
SCHEMBL15401331 0.80 LRRK2 (1.00) STK3CDC7MARK3JAK2JAK3
SCHEMBL9966954 0.79 AKT1 (0.85) GSK3BKIT
SCHEMBL20640921 0.79 AKT1 (0.85) STK3CDC7MARK3ROCK2ROCK1
SCHEMBL31301601 0.78 LRRK2 (0.77) STK3CDC7MARK3ROCK2ROCK1
SCHEMBL4432115 0.78 LMNA (0.72) AURKAAURKB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8809336-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein kinases inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-08-19 US disclosed
US-8796293-B2 Purine and deazapurine derivatives as pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-08-05 US 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
CN-101489559-B Purine and deazapurine derivatives as pharmaceutical compounds ASTEX THERAPEUTICS LTD 2012-08-15 CN 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
CN-101489559-A Purine and deazapurine derivatives as pharmaceutical compounds ASTEX THERAPEUTICS LTD (GB) 2009-07-22 CN disclosed
CN-101484173-A Pharmaceutical combinations of pk inhibitors and other active agents ASTEX THERAPEUTICS LTD (GB) 2009-07-15 CN disclosed
EP-2043655-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-04-08 EP disclosed
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents ASTEX THERAPEUTICS LIMITED (GB) 2009-03-26 US disclosed
EP-2037931-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS Astex Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2007125321-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125310-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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 STK3 360/4885CDC7 273/4885MARK3 197/4885
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK2, CDK1, OXSR1 STK3 393/4885CDC7 258/4885MARK3 281/4885
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS CDK2, CDK1, CDK3 STK3 359/4885CDC7 271/4885MARK3 196/4885
US-20090082370-A1 Pharmaceutical Combinations of PK Inhibitors and Other Active Agents PKN2, PKN1, PKN3 STK3 79/4885CDC7 1142/4885MARK3 103/4885
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS TPMT, CNKSR1, PRKD3 STK3 736/4885CDC7 1096/4885MARK3 336/4885

“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.