SCHEMBL30172064

SCHEMBL30172064

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5CCN(C)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 8/20 0.42
▸ PTK2 Q05397 2/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ HTR4 Q13639 1/20 0.37
▸ PTK6 Q13882 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ SYK P43405 2/20 0.36
▸ SRC P12931 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL22123504 1.00 TTK (0.42) TTKPTK2BRD4CDK1CDK2
SCHEMBL22122910 0.92 PTK2 (0.46) TTKPTK2HTR4PTK6SYK
SCHEMBL22123046 0.91 TTK (0.40) TTKPTK2HTR4PTK6SYK
SCHEMBL30171688 0.91 TTK (0.40) TTKPTK2HTR4PTK6SYK
SCHEMBL22123494 0.90 TTK (0.42) TTKBRD4CDK1CDK2PTK6
SCHEMBL30171737 0.90 TTK (0.42) TTKBRD4CDK1CDK2PTK6
SCHEMBL22139108 0.89 PTK2 (0.43) TTKPTK2PTK6
SCHEMBL30171895 0.89 PTK2 (0.43) TTKPTK2PTK6
SCHEMBL24910483 0.86 KDM4E (0.43) TTKEGFRAXL
SCHEMBL24870895 0.86 PTK6 (0.36) TTKPTK2PTK6AXLSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — 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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230011869-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 4546/4885PTK2 4182/4885BRD4 735/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4546/4885PTK2 4182/4885BRD4 735/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4573/4885PTK2 4183/4885BRD4 687/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885PTK2 4505/4885BRD4 197/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885PTK2 4090/4885BRD4 596/4885

“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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