SCHEMBL22123294

SCHEMBL22123294

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC[C@H]1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 6/20 0.43
▸ PTK6 Q13882 2/20 0.39
▸ TTK P33981 7/20 0.37
▸ AURKB Q96GD4 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ NAMPT P43490 2/20 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
SCHEMBL22122856 1.00 PTK2 (0.43) PTK2PTK6TTKAURKBJAK2
Hydrochloric Acid SCHEMBL30171580 0.99 PTK2 (0.43) PTK2PTK6TTKAURKBJAK2
Hydrochloric Acid SCHEMBL30172045 0.99 PTK2 (0.43) PTK2PTK6TTKAURKBJAK2
SCHEMBL22123264 0.96 PTK2 (0.46) PTK2PTK6TTKAURKBMAPKAPK5
SCHEMBL30385433 0.94 PTK2 (0.42) PTK2PTK6TTKAURKBJAK2
Formic Acid SCHEMBL30171777 0.93 PTK2 (0.44) PTK2PTK6TTKAURKBHTR4
SCHEMBL22122871 0.93 PTK2 (0.39) PTK2PTK6TTKAURKBJAK2
SCHEMBL30171895 0.93 PTK2 (0.43) PTK2PTK6TTKAURKBJAK2
SCHEMBL22139108 0.93 PTK2 (0.43) PTK2PTK6TTKAURKBJAK2
SCHEMBL24112378 0.93 PTK2 (0.39) PTK2PTK6TTKAURKBJAK2

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
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP 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 (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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK2 4090/4885PTK6 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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