SCHEMBL24978081

SCHEMBL24978081

C/N=C/COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)NCCN)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.40
▸ AURKB Q96GD4 6/20 0.36
▸ TTK P33981 3/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ LCK P06239 6/20 0.33
▸ ERBB2 P04626 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL24939258 0.93 PTK6 (0.41) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL22124078 0.90 PTK6 (0.43) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL24870761 0.89 PTK6 (0.40) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL22124292 0.89 PTK6 (0.40) PTK6AURKBTTKMAPKAPK5LCK
Formic Acid SCHEMBL25171886 0.88 PTK6 (0.39) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL24910616 0.86 PTK6 (0.44) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL22123982 0.85 PTK6 (0.44) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL24977802 0.84 PTK6 (0.43) PTK6AURKBTTKLCK
SCHEMBL24978617 0.84 PTK6 (0.43) PTK6AURKBTTKLCK
SCHEMBL24978331 0.84 PTK6 (0.43) PTK6AURKBTTKLCK

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 PTK6 2201/4885AURKB 3265/4885TTK 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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