SCHEMBL9938786

SCHEMBL9938786

CSc1nc(-c2ccccc2)cn2c(I)cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 12/20 0.52
CLK4 Q9HAZ1 2/20 0.40
PIM1 P11309 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
STK3 Q13188 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9937210 0.78 TTK (0.53) TTKCLK4PIM1RPS6KB1CSNK1D
SCHEMBL8240495 0.78 CLK4 (0.43) CLK4PIM1RPS6KB1CSNK1DCLK2
SCHEMBL13155404 0.76 TTK (0.31) TTKMEN1KMT2A
SCHEMBL104489 0.75 TTK (0.45) TTK
SCHEMBL13693181 0.75 TTK (0.31) TTK
SCHEMBL14536714 0.75 AURKA (0.51) TTK
SCHEMBL13954633 0.72
SCHEMBL9937411 0.72 TTK (0.56) TTK
SCHEMBL9938832 0.71 KDM4E (0.50) TTKKDM4EALDH1A1HPGDMEN1
SCHEMBL14507457 0.71 AURKA (0.50) TTKKDM4EALDH1A1HPGDLMNA

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-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-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
EP-2651945-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP 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-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

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-20140135319-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS TK1, CDK1, CDKL1 TTK 166/4885CLK4 258/4885PIM1 250/4885

“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.