SCHEMBL2087906

SCHEMBL2087906

CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(=O)n(C)c4C)n3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.75
CDK9 P50750 9/20 0.75
CDK7 P50613 6/20 0.75
CCNT1 O60563 4/20 0.75
AURKA O14965 5/20 0.73
AURKB Q96GD4 5/20 0.73
CDK4 P11802 4/20 0.73
CDK1 P06493 4/20 0.73
ALK Q9UM73 3/20 0.70
WEE1 P30291 2/20 0.70
FLT3 P36888 8/20 0.67
IGF1R P08069 2/20 0.67
JAK2 O60674 2/20 0.67
CHEK1 O14757 1/20 0.67
DAPK3 O43293 1/20 0.67
PRKD3 O94806 1/20 0.67
MAP4K4 O95819 1/20 0.67
PAK4 O96013 1/20 0.67
ABL1 P00519 1/20 0.67
NTRK1 P04629 1/20 0.67

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
SCHEMBL2076008 0.89 CDK2 (0.81) CDK2CDK9CDK7CCNT1AURKA
SCHEMBL2088831 0.89 CDK2 (0.72) CDK2CDK9CDK7CCNT1AURKA
SCHEMBL2076613 0.86 CDK2 (0.80) CDK2CDK9CDK7CCNT1AURKA
SCHEMBL2085358 0.85 CDK2 (1.00) CDK2CDK9CDK7CCNT1AURKA
SCHEMBL2073428 0.85 CDK2 (1.00) CDK2CDK9CDK7CCNT1AURKA
SCHEMBL4154271 0.83 CDK2 (1.00) CDK2CDK9CDK7CCNT1AURKA
SCHEMBL2087317 0.83 CDK2 (0.63) CDK2CDK9CDK7CCNT1AURKA
SCHEMBL2075827 0.82 CDK2 (1.00) CDK2CDK9CDK7CCNT1AURKA
SCHEMBL2086730 0.82 GSK3B (0.70) CDK2CDK9CDK7CCNT1AURKA
SCHEMBL2087314 0.81 CDK2 (0.71) CDK2CDK9CDK7CCNT1AURKA

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
EP-1678171-B1 2-AMINO-4-THIAZOLONE-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2016-09-14 EP claimed
US-7902361-B2 Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2011-03-08 US claimed
JP-2007509117-A 2007-04-12 JP claimed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 US claimed
EP-1678171-A1 PYRIMIDIN-4-YL-3,4-THIONE COMPOUNDS AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2006-07-12 EP claimed
WO-2005042525-A1 PYRIMIDIN-4-YL-3, 4-THIONE COMPOUNDS AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2005-05-12 WO claimed
EP-1678171-B1 2-AMINO-4-THIAZOLONE-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2016-09-14 EP disclosed
US-7902361-B2 Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2011-03-08 US disclosed
EP-1951307-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR Cyclacel Limited (GB) 2008-08-06 EP disclosed
WO-2007054725-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR CYCLACEL LIMITED (GB) 2007-05-18 WO disclosed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
EP-1678171-A1 PYRIMIDIN-4-YL-3,4-THIONE COMPOUNDS AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2006-07-12 EP disclosed
WO-2005042525-A1 PYRIMIDIN-4-YL-3, 4-THIONE COMPOUNDS AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2005-05-12 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 (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-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy MSRB3, DHFR, CBR3 CDK2 459/4885CDK9 1001/4885CDK7 1077/4885

“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.