SCHEMBL25450699

SCHEMBL25450699

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCC5CC[N+](C)(C)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 8/20 0.37
▸ PTK6 Q13882 1/20 0.34
▸ SYK P43405 5/20 0.33
▸ MAP3K7 O43318 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TAB1 Q15750 1/20 0.33
▸ AXL P30530 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ EGFR P00533 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
SCHEMBL24112408 0.97 TTK (0.36) TTKPTK6SYKMAP3K7CYP3A4
Trifluoroacetic Acid SCHEMBL30385325 0.96 TTK (0.36) TTKPTK6SYKMAP3K7CYP3A4
SCHEMBL25450694 0.93 PTK6 (0.40) TTKPTK6MAPKAPK5AURKAEGFR
SCHEMBL22123694 0.92 TTK (0.41) TTKPTK6MAP3K7CYP3A4CYP2C9
SCHEMBL30172065 0.92 TTK (0.41) TTKPTK6MAP3K7CYP3A4CYP2C9
SCHEMBL25173551 0.88 GPR119 (0.38) TTKPTK6
SCHEMBL25450726 0.85 PTK6 (0.38) TTKPTK6MAPKAPK5
SCHEMBL22124340 0.84 CDK2 (0.44) TTKPTK6SYKCDK2MAPKAPK5
SCHEMBL22123440 0.83 PTK6 (0.43) TTKPTK6MAPKAPK5AURKA
SCHEMBL30171744 0.83 PTK6 (0.43) TTKPTK6MAPKAPK5AURKA

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-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — 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-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES IKZF3, RRP15, IK TTK 4336/4885PTK6 925/4885SYK 256/4885

“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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