SCHEMBL30172065

SCHEMBL30172065

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCC5CCNCC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 10/20 0.41
▸ PTK6 Q13882 5/20 0.39
▸ AURKB Q96GD4 4/20 0.36
▸ PTK2 Q05397 3/20 0.36
▸ LCK P06239 2/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 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

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
SCHEMBL22123694 1.00 TTK (0.41) TTKPTK6AURKBPTK2LCK
SCHEMBL25450699 0.92 TTK (0.37) TTKPTK6MAPKAPK5MAP3K7CYP3A4
SCHEMBL22123675 0.90 TTK (0.46) TTKPTK6AURKBLCKMAPKAPK5
SCHEMBL24112408 0.90 TTK (0.36) TTKPTK6MAPKAPK5MAP3K7CYP3A4
SCHEMBL22123440 0.89 PTK6 (0.43) TTKPTK6AURKBLCKMAPKAPK5
SCHEMBL30171744 0.89 PTK6 (0.43) TTKPTK6AURKBLCKMAPKAPK5
SCHEMBL25173551 0.89 GPR119 (0.38) TTKPTK6PTK2
Trifluoroacetic Acid SCHEMBL30385325 0.88 TTK (0.36) TTKPTK6MAP3K7CYP3A4CYP2C9
SCHEMBL22122910 0.87 PTK2 (0.46) TTKPTK6AURKBPTK2
SCHEMBL22122995 0.86 TTK (0.46) TTKPTK6AURKBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — 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 (5 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 TTK 4546/4885PTK6 2201/4885AURKB 3265/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4546/4885PTK6 2201/4885AURKB 3265/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4573/4885PTK6 2141/4885AURKB 3352/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885PTK6 1818/4885AURKB 3169/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885PTK6 2211/4885AURKB 3359/4885

“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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