SCHEMBL22123884

SCHEMBL22123884

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ LMNA P02545 1/20 0.35
▸ PTK6 Q13882 1/20 0.32
▸ MET P08581 1/20 0.32
▸ CCNT1 O60563 3/20 0.32
▸ CDK9 P50750 3/20 0.32
▸ CCNA2 P20248 2/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ TTK P33981 3/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30
▸ FGFR3 P22607 1/20 0.30
▸ MAPKAPK5 Q8IW41 1/20 0.30

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
SCHEMBL30171959 1.00 CDK2 (0.39) CDK2CDK1LMNAPTK6MET
SCHEMBL30171584 0.94 CDK2 (0.38) CDK2CDK1LMNAPTK6MET
SCHEMBL22157134 0.94 CDK2 (0.38) CDK2CDK1LMNAPTK6MET
SCHEMBL22124715 0.92 CDK2 (0.34) CDK2CDK1PTK6TTKP2RX3
SCHEMBL30171828 0.92 CDK2 (0.34) CDK2CDK1PTK6TTKP2RX3
SCHEMBL30385985 0.91 CDK2 (0.37) CDK2CDK1LMNAPTK6MET
SCHEMBL22124697 0.90 CDK2 (0.34) CDK2CDK1PTK6TTKP2RX3
SCHEMBL25445314 0.89 MAPKAPK5 (0.35) CDK2CDK1PTK6TTKP2RX3
SCHEMBL24112476 0.87 PTK6 (0.35) CDK2CDK1PTK6TTKP2RX3
SCHEMBL22122966 0.87 P2RX3 (0.36) CDK2CDK1PTK6TTKP2RX3

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
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN 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
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN 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 1010/4885CDK1 615/4885LMNA 3614/4885

“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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