SCHEMBL30171838

SCHEMBL30171838

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5CCN(C(=N)N)CC5)c(C)c4)nccn23)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.46
▸ PTK6 Q13882 5/20 0.45
▸ TTK P33981 7/20 0.44
▸ SYK P43405 1/20 0.41
▸ HTR4 Q13639 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL22122824 1.00 F10 (0.46) F10PTK6TTKSYKHTR4
SCHEMBL30171544 0.89 PTK6 (0.47) F10PTK6TTKSYKHTR4
SCHEMBL22122940 0.89 PTK6 (0.47) F10PTK6TTKSYKHTR4
SCHEMBL22123046 0.87 TTK (0.40) F10PTK6TTKSYKHTR4
SCHEMBL30171688 0.87 TTK (0.40) F10PTK6TTKSYKHTR4
SCHEMBL24911044 0.85 PTK6 (0.53) PTK6TTKLCKAURKB
SCHEMBL22123167 0.85 TTK (0.45) F10PTK6TTKMAPKAPK5
SCHEMBL22122923 0.82 PTK6 (0.49) PTK6TTKSYKLCKMAPKAPK5
SCHEMBL30171768 0.82 PTK6 (0.49) PTK6TTKSYKLCKMAPKAPK5
SCHEMBL22124379 0.81 TTK (0.49) PTK6TTKSYKMAPKAPK5AURKB

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 6 patents. 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
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
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 F10 2368/4885PTK6 2201/4885TTK 4546/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 F10 2368/4885PTK6 2201/4885TTK 4546/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 F10 2456/4885PTK6 2141/4885TTK 4573/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X F10 2192/4885PTK6 1818/4885TTK 4519/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 F10 2530/4885PTK6 2211/4885TTK 4482/4885

“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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