SCHEMBL4354439

SCHEMBL4354439

COc1cc(Nc2nccc(-c3nc(C)c(C)s3)n2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.69
AURKA O14965 3/20 0.69
CDK1 P06493 3/20 0.69
CDK7 P50613 3/20 0.69
CDK9 P50750 3/20 0.69
AURKB Q96GD4 3/20 0.69
CDK4 P11802 2/20 0.69
EGFR P00533 3/20 0.60
JAK2 O60674 1/20 0.60
PIK3CA P42336 1/20 0.60
PIK3CB P42338 1/20 0.60
PIK3CG P48736 1/20 0.60
PTK2B Q14289 1/20 0.60
ZAP70 P43403 10/20 0.58
PRKD3 O94806 3/20 0.58
PRKCG P05129 3/20 0.58
PRKCB P05771 3/20 0.58
LCK P06239 3/20 0.58
PRKCA P17252 3/20 0.58
PRKCH P24723 3/20 0.58

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
SCHEMBL14378948 0.86 ZAP70 (0.70) CDK2AURKACDK1CDK7CDK9
SCHEMBL5065681 0.84 ZAP70 (0.74) CDK2AURKACDK1CDK7CDK9
SCHEMBL14216016 0.83 ZAP70 (0.72) CDK2AURKACDK1CDK7CDK9
SCHEMBL6978008 0.82 CDK2 (0.60) CDK2AURKACDK1CDK7CDK9
SCHEMBL4159950 0.81 CDK2 (1.00) CDK2AURKACDK1CDK7CDK9
SCHEMBL6976486 0.81 SYK (0.74) CDK2AURKACDK1CDK7CDK9
SCHEMBL4156619 0.81 CDK2 (1.00) CDK2AURKACDK1CDK7CDK9
SCHEMBL2288182 0.81 CDK2 (0.74) CDK2AURKACDK1CDK7CDK9
SCHEMBL5036805 0.81 CDK2 (0.65) CDK2AURKACDK1CDK7CDK9
SCHEMBL6979315 0.80 CDK2 (0.79) CDK2AURKACDK1CDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318954-A1 Compounds CYCLACEL LIMITED (GB) 2008-12-25 US claimed
EP-1751146-A2 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY Cyclacel Limited (GB) 2007-02-14 EP claimed
WO-2005075468-A2 PYRIDINYL - OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LIMITED (GB) 2005-08-18 WO claimed
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
US-20080318954-A1 Compounds CYCLACEL LIMITED (GB) 2008-12-25 US disclosed
US-20080318954-A1 Compounds CYCLACEL LIMITED (GB) 2008-12-25 US disclosed
CN-1914199-A Pyridyl or pyrimidyl thiazole compounds having protein kinase inhibitory activity CYCLACEL LTD (GB) 2007-02-14 CN disclosed
EP-1751146-A2 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY Cyclacel Limited (GB) 2007-02-14 EP disclosed
WO-2005075468-A3 PYRIDINYL - OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LTD (GB) 2005-10-13 WO disclosed
WO-2005075468-A2 PYRIDINYL - OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LIMITED (GB) 2005-08-18 WO disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 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 (1 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-20080318954-A1 Compounds CBR3, NR3C2, NR5A1 CDK2 1186/4885AURKA 2935/4885CDK1 678/4885

“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.