SCHEMBL22122846

SCHEMBL22122846

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC(=O)NCCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ FGFR3 P22607 2/20 0.36
▸ PTK2 Q05397 1/20 0.35
▸ RAD52 P43351 4/20 0.34
▸ UHRF1 Q96T88 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ FYN P06241 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33
▸ AXL P30530 2/20 0.32
▸ TTK P33981 1/20 0.32
▸ SYK P43405 1/20 0.32

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
SCHEMBL30172018 1.00 CDK2 (0.38) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL30171584 0.93 CDK2 (0.38) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL22157134 0.93 CDK2 (0.38) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL22123448 0.92 PTK6 (0.35) PTK6AXLTTKSYK
SCHEMBL30171808 0.92 PTK6 (0.35) PTK6AXLTTKSYK
SCHEMBL22122984 0.92 SYK (0.36) IGF1RPTK6AXLTTKSYK
SCHEMBL30171810 0.92 PTK6 (0.34) IGF1RPTK6AXLTTKSYK
SCHEMBL22123242 0.92 PTK6 (0.34) IGF1RPTK6AXLTTKSYK
SCHEMBL30171593 0.92 SYK (0.36) IGF1RPTK6AXLTTKSYK
SCHEMBL22124663 0.90 ALK (0.37) CDK2CCNT1CCNA2CDK9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
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 CDK2 1010/4885CCNT1 408/4885CCNA2 2270/4885

“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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