SCHEMBL9966176

SCHEMBL9966176

COc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(Br)nc(Br)cn12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 9/20 0.59
▸ LRRK2 Q5S007 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.44
▸ ROCK2 O75116 3/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RIPK2 O43353 1/20 0.42
▸ PTK2 Q05397 1/20 0.41
▸ TACR2 P21452 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ FYN P06241 1/20 0.41

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
SCHEMBL9938637 0.87 TTK (0.76) TTK
SCHEMBL9935513 0.81 TTK (0.76) TTK
SCHEMBL9935643 0.76 TTK (0.60) TTK
SCHEMBL9938006 0.76 TTK (0.71) TTK
SCHEMBL9937820 0.75 TTK (0.72) TTK
SCHEMBL14834397 0.75 TTK (1.00) TTK
SCHEMBL9966501 0.74 TTK (0.72) TTK
SCHEMBL9936990 0.74 TTK (0.70) TTK
SCHEMBL9974816 0.73 TTK (0.73) TTKFYN
SCHEMBL9937922 0.73 TTK (0.76) TTK

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199999-B2 Substituted imidazopyrazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US disclosed
US-9199999-B2 Substituted imidazopyrazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US disclosed
US-9199999-B2 Substituted imidazopyrazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US disclosed
EP-2576560-B1 SUBSTITUTED IMIDAZOPYRAZINES BAYER IP GMBH (DE) 2015-09-30 — — EP disclosed
EP-2576560-B1 SUBSTITUTED IMIDAZOPYRAZINES BAYER IP GMBH (DE) 2015-09-30 — — EP disclosed
US-20140187548-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-03 — — US disclosed
US-20140187548-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-03 — — US disclosed
US-20140187548-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-03 — — US disclosed
US-20140135319-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 — — US disclosed
US-20140135319-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 — — 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
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-20130210815-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 — — US disclosed
EP-2576560-A1 SUBSTITUTED IMIDAZOPYRAZINES Bayer Intellectual Property GmbH (DE) 2013-04-10 — — EP disclosed
WO-2012080230-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 — — WO disclosed
WO-2012080236-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 — — WO 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
WO-2011151259-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 — — WO disclosed
WO-2011151259-A1 SUBSTITUTED IMIDAZOPYRAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 — — 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 (4 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-20140187548-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS TK1, CDKL1, CDK1 TTK 133/4885LRRK2 2608/4885USP30 2148/4885
US-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS TK1, CDKL1, CDK1 TTK 136/4885LRRK2 2586/4885USP30 2337/4885
US-20140135319-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS TK1, CDK1, CDKL1 TTK 166/4885LRRK2 2462/4885USP30 2290/4885
US-20130210815-A1 SUBSTITUTED IMIDAZOPYRAZINES CYP3A5, CYP3A43, HRH2 TTK 4616/4885LRRK2 2654/4885USP30 3100/4885

“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.

Send feedback