SCHEMBL5069434

SCHEMBL5069434

NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4c(F)cccc4F)c3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 1.00
CDK1 P06493 1/20 1.00
TRPV1 Q8NER1 1/20 0.49
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
ROCK1 Q13464 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5134221 0.85 EGFR (1.00) EGFRCDK1TRPV1CCNA2CDK2
SCHEMBL13672682 0.82 EGFR (1.00) EGFRCDK1CA12CA1CA2
SCHEMBL13675240 0.82 EGFR (0.79) EGFRCDK1MEN1KMT2A
SCHEMBL13672683 0.81 EGFR (1.00) EGFRCDK1TRPV1CCNA2CDK2
SCHEMBL13672688 0.81 EGFR (1.00) EGFRCDK1CCNA2CDK2ROCK1
SCHEMBL13672686 0.81 EGFR (1.00) EGFRCDK1ROCK1
SCHEMBL5069441 0.81 EGFR (0.71) EGFRCDK1CA12CA1CA2
SCHEMBL5063955 0.81 EGFR (0.76) EGFRCDK1CA12CA1CA2
SCHEMBL13675042 0.81 EGFR (0.68) EGFRCDK1CCNA2CDK2ROCK1
SCHEMBL14462118 0.80 EGFR (0.75) EGFRCDK1ROCK1

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 56/4885TRPV1 4274/4885

“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.