SCHEMBL22160299

SCHEMBL22160299

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N(C)CCCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 4/20 0.43
▸ CNR2 P34972 3/20 0.40
▸ FYN P06241 1/20 0.40
▸ TTK P33981 3/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ PTK6 Q13882 2/20 0.38
▸ SIK1 P57059 3/20 0.37
▸ SIK2 Q9H0K1 3/20 0.37
▸ SIK3 Q9Y2K2 3/20 0.37
▸ ERBB2 P04626 2/20 0.37
▸ SYK P43405 1/20 0.36
▸ LCK P06239 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
SCHEMBL30171591 1.00 MAPKAPK5 (0.43) MAPKAPK5CNR2FYNTTKAURKB
SCHEMBL22123812 0.95 MAPKAPK5 (0.44) MAPKAPK5CNR2FYNTTKAURKB
SCHEMBL22123796 0.92 TTK (0.40) MAPKAPK5TTKAURKAPTK6
SCHEMBL22123813 0.91 PTK6 (0.46) MAPKAPK5TTKAURKBAURKAPTK6
SCHEMBL22123377 0.89 TTK (0.40) MAPKAPK5TTKAURKAPTK6LCK
SCHEMBL22123104 0.88 CNR2 (0.44) MAPKAPK5CNR2TTKAURKBAURKA
SCHEMBL22123436 0.88 TTK (0.40) MAPKAPK5TTKAURKAPTK6
SCHEMBL24870858 0.88 MAPKAPK5 (0.43) MAPKAPK5CNR2TTKAURKBAURKA
SCHEMBL30171702 0.88 MAPKAPK5 (0.43) MAPKAPK5CNR2TTKAURKBAURKA
SCHEMBL22123836 0.88 KDR (0.45) MAPKAPK5CNR2TTKCNR1SIK1

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-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 (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 MAPKAPK5 647/4885CNR2 2484/4885FYN 4026/4885

“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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