SCHEMBL5069412

SCHEMBL5069412

C#Cc1cccc(Nc2ncnc3nc(Nc4ccc(S(=O)(=O)NCCO)cc4)sc23)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.57
CDK1 P06493 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NTRK1 P04629 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL13672634 0.90 EGFR (0.54) EGFRCDK1HDAC3HDAC1HDAC6
SCHEMBL13672635 0.81 EGFR (0.73) EGFRCDK1DYRK1A
SCHEMBL13675242 0.81 EGFR (0.57) EGFRCDK1
SCHEMBL13675245 0.81 EGFR (0.65) EGFRCDK1HDAC3HDAC1HDAC6
SCHEMBL14461356 0.80 EGFR (0.56) EGFRCDK1
SCHEMBL14441621 0.79 EGFR (0.56) EGFRCDK1AURKADYRK1ADYRK1B
SCHEMBL13672629 0.79 EGFR (0.70) EGFRCDK1AURKADYRK1ADYRK1B
SCHEMBL13672642 0.78 EGFR (0.71) EGFRCDK1TRPV1
SCHEMBL13672649 0.77 EGFR (0.67) EGFRHDAC3HDAC1HDAC6NTRK1
SCHEMBL13672671 0.76 EGFR (0.61) EGFRHDAC3HDAC1HDAC6NTRK1

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 6 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

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 EGFR 538/4885CDK1 56/4885HDAC3 2171/4885

“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.