SCHEMBL4479010

SCHEMBL4479010

COC(=O)c1sc(Nc2ccc(C#N)cc2)nc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.69
GSK3B P49841 2/20 0.69
CCNA2 P20248 7/20 0.62
CDK2 P24941 7/20 0.62
NPC1 O15118 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
DHODH Q02127 1/20 0.53
RAB9A P51151 3/20 0.52
HPGD P15428 2/20 0.52
CDK5 Q00535 6/20 0.51
CDK5R1 Q15078 6/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
TUBB8B A6NNZ2 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51

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
SCHEMBL20142470 0.90 GSK3A (0.80) GSK3AGSK3BCCNA2CDK2NPC1
SCHEMBL20142382 0.85 MEN1 (0.83) GSK3AGSK3BCCNA2CDK2NPC1
SCHEMBL20142463 0.85 GSK3A (0.89) GSK3AGSK3BCCNA2CDK2NPC1
SCHEMBL4468574 0.84 NPC1 (0.72) GSK3AGSK3BCCNA2CDK2NPC1
SCHEMBL20142068 0.82 GSK3A (1.00) GSK3AGSK3BCCNA2CDK2NPC1
SCHEMBL25609556 0.81 GSK3A (0.79) GSK3AGSK3BCCNA2CDK2NPC1
SCHEMBL20142839 0.81 GSK3A (0.77) GSK3AGSK3BCCNA2CDK2NPC1
SCHEMBL4479206 0.81 CCNA2 (0.77) GSK3BCCNA2CDK2CDK5CDK5R1
SCHEMBL20142196 0.81 GSK3A (0.81) GSK3AGSK3BCCNA2CDK2NPC1
SCHEMBL20141891 0.80 GSK3A (0.80) GSK3AGSK3BCCNA2CDK2NPC1

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-7605154-B2 ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-20 US disclosed
US-7605154-B2 ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-20 US disclosed
EP-1912639-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-23 EP disclosed
US-20070185139-A1 Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-09 US disclosed
US-20070185139-A1 Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-09 US disclosed
WO-2007019191-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-15 WO disclosed
WO-2007019191-A2 THIAZOLOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-15 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-20070185139-A1 Thiazolopyrimidine kinase inhibitors ABL1, MAP3K19, PI4KB GSK3A 438/4885GSK3B 384/4885CCNA2 1488/4885

“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.