SCHEMBL22123498

SCHEMBL22123498

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(C(C)(C)C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.36
▸ TTK P33981 7/20 0.35
▸ PTK6 Q13882 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ MAP3K7 O43318 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TAB1 Q15750 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 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
Formic Acid SCHEMBL30171745 0.97 PTK2 (0.34) PTK2TTKPTK6DRD2DRD4
SCHEMBL30171847 0.90 GSK3B (0.37) PTK2TTKPTK6DRD2DRD4
SCHEMBL22122933 0.90 GSK3B (0.37) PTK2TTKPTK6DRD2DRD4
SCHEMBL30385877 0.90 TP53 (0.36) PTK2TTKPTK6DRD2DRD4
SCHEMBL30385437 0.90 TP53 (0.40) PTK2PTK6SYK
SCHEMBL22122975 0.89 F10 (0.41) PTK2TTKPTK6SYKMAPKAPK5
SCHEMBL30171900 0.89 F10 (0.41) PTK2TTKPTK6SYKMAPKAPK5
SCHEMBL22123264 0.89 PTK2 (0.46) PTK2TTKPTK6CNR2MAPKAPK5
Trifluoroacetic Acid SCHEMBL30171818 0.88 PTK2 (0.39) PTK2TTKPTK6CNR2MAPKAPK5
SCHEMBL24112110 0.88 TTK (0.37) PTK2TTKPTK6CNR2MAPKAPK5

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 4090/4885TTK 4482/4885PTK6 2211/4885

“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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