SCHEMBL30187358

SCHEMBL30187358

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NC5CCCNC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 11/20 0.47
▸ PTK2 Q05397 3/20 0.42
▸ AXL P30530 1/20 0.40
▸ GUCY1B2 O75343 1/20 0.40
▸ GUCY1A2 P33402 1/20 0.40
▸ GUCY1A1 Q02108 1/20 0.40
▸ GUCY1B1 Q02153 1/20 0.40
▸ PTK6 Q13882 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ KDM1A O60341 2/20 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
SCHEMBL22123816 1.00 TTK (0.47) TTKPTK2AXLGUCY1B2GUCY1A2
SCHEMBL24940103 0.96 TTK (0.48) TTKPTK2AXLPTK6
SCHEMBL24940135 0.96 TTK (0.48) TTKPTK2AXLPTK6
SCHEMBL22124088 0.93 TTK (0.47) TTKPTK2AXLPTK6
SCHEMBL22124142 0.92 TTK (0.41) TTKPTK2AXLGUCY1B2GUCY1A2
SCHEMBL30187385 0.92 TTK (0.41) TTKPTK2AXLGUCY1B2GUCY1A2
SCHEMBL22123809 0.92 TTK (0.51) TTKPTK2AXLPTK6
SCHEMBL30187312 0.92 TTK (0.51) TTKPTK2AXLPTK6
SCHEMBL24940120 0.88 TTK (0.44) TTKPTK2AXLPTK6
SCHEMBL24112462 0.88 TTK (0.50) TTKPTK2AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP claimed
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — 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-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885PTK2 4505/4885AXL 2653/4885

“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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