SCHEMBL9966367

SCHEMBL9966367

O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 18/20 1.00
FLT3 P36888 1/20 0.53
ADORA3 P0DMS8 1/20 0.52

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
SCHEMBL9941142 0.92 TTK (0.85) TTK
SCHEMBL9940793 0.88 TTK (0.79) TTK
SCHEMBL9941321 0.87 TTK (0.77) TTKFLT3ADORA3
SCHEMBL9966175 0.87 TTK (0.76) TTKFLT3ADORA3
SCHEMBL9937573 0.86 TTK (0.75) TTK
SCHEMBL9966484 0.85 TTK (1.00) TTK
SCHEMBL9936285 0.85 TTK (0.73) TTK
SCHEMBL15375695 0.83 TTK (1.00) TTK
SCHEMBL9941202 0.83 TTK (0.86) TTK
SCHEMBL12409279 0.83 TTK (0.70) TTKFLT3ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-14 US claimed
US-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-14 US disclosed
US-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-14 US disclosed
US-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-14 US disclosed
WO-2012080229-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 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-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS TK1, CDKL1, CDK1 TTK 136/4885FLT3 84/4885ADORA3 2648/4885

“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.