SCHEMBL22160986

SCHEMBL22160986

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nccn23)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 4/20 0.53
▸ MAPKAPK5 Q8IW41 2/20 0.48
▸ ALK Q9UM73 1/20 0.47
▸ AURKA O14965 2/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ TTK P33981 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ PDE5A O76074 2/20 0.45
▸ CCR3 P51677 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ KDR P35968 1/20 0.45

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
SCHEMBL22122857 0.92 PTK6 (0.49) CD274ALKTTKCCR3ALDH1A1
Hydrochloric Acid SCHEMBL30171816 0.91 PTK6 (0.49) CD274ALKTTKCCR3ALDH1A1
SCHEMBL30171705 0.87 TTK (0.51) TTKALDH1A1
SCHEMBL22123392 0.87 TTK (0.51) TTKALDH1A1
SCHEMBL22124603 0.86 TTK (0.50) TTK
SCHEMBL30171597 0.86 TTK (0.50) TTK
SCHEMBL22122845 0.86 TTK (0.50) MAPKAPK5TTK
SCHEMBL22123602 0.86 MAPKAPK5 (0.53) MAPKAPK5ALKAURKAAURKB
SCHEMBL22154474 0.86 TTK (0.50) MAPKAPK5TTK
SCHEMBL24105205 0.85 KDR (0.48) MAPKAPK5AURKAAURKBEGFRKDM4E

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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO 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 (4 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 CD274 3846/4885MAPKAPK5 728/4885ALK 863/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 CD274 3787/4885MAPKAPK5 695/4885ALK 876/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X CD274 3978/4885MAPKAPK5 516/4885ALK 850/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 CD274 3874/4885MAPKAPK5 647/4885ALK 1026/4885

“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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