SCHEMBL24105046

SCHEMBL24105046

COc1ccc(-c2cnc3c(Nc4ccc(S(=O)(=O)NCCOCCN(C)C)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.35
▸ CDK4 P11802 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ EGFR P00533 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAP3K7 O43318 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TAB1 Q15750 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ TP53 P04637 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
SCHEMBL30167778 1.00 AURKA (0.35) AURKACDK4CDK2CDK1CNR2
SCHEMBL24105197 0.93 EGFR (0.35) AURKACDK4CDK2CDK1EGFR
SCHEMBL30167900 0.93 EGFR (0.35) AURKACDK4CDK2CDK1EGFR
SCHEMBL24105194 0.92 AURKA (0.33) AURKACDK4CDK2CNR2USP2
Hydrochloric Acid SCHEMBL30168158 0.91 AURKA (0.32) AURKACDK4CDK2CNR2USP2
SCHEMBL25170907 0.90 MAPT (0.34) AURKACNR2USP2SMN1; SMN2CYP19A1
SCHEMBL30371863 0.88 BRD4 (0.39) EGFRTP53SYK
SCHEMBL25447126 0.88 BRD4 (0.39) EGFRTP53SYK
SCHEMBL24105196 0.84 EGFR (0.34) EGFRPOLBCYP19A1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL25174188 0.84 EGFR (0.34) EGFRPOLBCYP19A1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
WO-2021249893-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 AURKA 2897/4885CDK4 1296/4885CDK2 1212/4885

“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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