SCHEMBL4800941

SCHEMBL4800941

CCCCNc1nc(C)c(C=CC(=O)N(C)C)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
TLR8 Q9NR97 7/20 0.36
TLR7 Q9NYK1 6/20 0.36
ALDH1A1 P00352 3/20 0.35
RIPK1 Q13546 2/20 0.33
LCK P06239 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32

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
SCHEMBL2075809 0.87 NPC1 (0.38) NPC1CDK9CDK5ALDH1A1
SCHEMBL4163033 0.84 ALDH1A1 (0.54) NPC1CLK4ALDH1A1
SCHEMBL4167886 0.81 NPC1 (0.65) NPC1ALDH1A1
SCHEMBL6362764 0.81 MAPT (0.41) NPC1ALDH1A1
SCHEMBL2075029 0.80 JAK2 (0.42) NPC1ALDH1A1
SCHEMBL4164802 0.77 NPC1 (0.52) NPC1CDK9ALDH1A1
SCHEMBL4172292 0.76 PIK3CG (0.37) NPC1ALDH1A1
SCHEMBL1889985 0.74 NPC1 (0.46) NPC1GSK3AGSK3BALDH1A1
SCHEMBL4800949 0.73 ALDH1A1 (0.49) NPC1CLK2GSK3AGSK3BCDK9
SCHEMBL2076088 0.73 NR4A2 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427627-B2 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-09-23 US disclosed
US-7388015-B2 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-06-17 US disclosed
EP-1760082-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as anti-proliferative compounds Cyclacel Limited (GB) 2007-03-07 EP disclosed
EP-1430051-B1 N-(4-(4-METHYLTHIAZOL-5-YL)PYRIMIDIN-2-YL)-N-PHENYLAMINES AS ANTIPROLIFERATIVE COMPOUNDS CYCLACEL LTD (GB) 2006-12-27 EP disclosed
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2006-09-07 US disclosed
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US disclosed
US-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2004-12-23 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-20040259894-A1 N-(4-(4-methylthiazol-5-yl)pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CDKL4 NPC1 3372/4885CLK2 257/4885GSK3A 635/4885
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CCNI NPC1 3372/4885CLK2 253/4885GSK3A 604/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 NPC1 525/4885CLK2 4400/4885GSK3A 2767/4885

“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.