SCHEMBL24978335

SCHEMBL24978335

C/C=C/c1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4)cnc23)ccc1C(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ PTK6 Q13882 2/20 0.40
▸ TTK P33981 13/20 0.40
▸ SYK P43405 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CDKL1 Q00532 1/20 0.36
▸ MET P08581 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35

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
SCHEMBL22122993 0.89 TTK (0.43) MAPKAPK5PTK6TTK
SCHEMBL22123860 0.89 TTK (0.43) MAPKAPK5PTK6TTK
SCHEMBL24978344 0.89 TTK (0.47) MAPKAPK5PTK6TTKSYKKCNH2
SCHEMBL30403258 0.82 MAPKAPK5 (0.46) MAPKAPK5PTK6TTKSYKAURKB
SCHEMBL22154774 0.81 TTK (0.43) MAPKAPK5PTK6TTK
SCHEMBL22124287 0.81 TTK (0.44) MAPKAPK5PTK6TTKKCNH2CDK4
SCHEMBL30349717 0.80 TTK (0.47) MAPKAPK5PTK6TTKSYKKCNH2
SCHEMBL30171795 0.79 PTK6 (0.53) MAPKAPK5PTK6TTKSYKAURKB
SCHEMBL22124031 0.79 PTK6 (0.53) MAPKAPK5PTK6TTKSYKAURKB
SCHEMBL22122954 0.77 TTK (0.46) MAPKAPK5PTK6TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 728/4885PTK6 2201/4885TTK 4546/4885

“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.

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