SCHEMBL30171536

SCHEMBL30171536

COc1ccc(-c2cnc3c(Nc4cc(C)c(C(=O)NCCOCCNC(=O)OC(C)(C)C)c(F)c4)nccn23)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ BUB1 O43683 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ TTK P33981 4/20 0.33
▸ CCNT1 O60563 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ AXL P30530 1/20 0.32
▸ ZAP70 P43403 1/20 0.32
▸ ACVR1B P36896 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ IDO1 P14902 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
SCHEMBL22123589 0.92 TTK (0.35) TTKZAP70IDO1
SCHEMBL22124722 0.91 PDE10A (0.35) TTKZAP70IDO1
SCHEMBL24112394 0.91 TTK (0.34) TTKZAP70IDO1
SCHEMBL22124854 0.91 PDE10A (0.35) TTKZAP70IDO1
SCHEMBL30171675 0.90 BRD4 (0.41) BRD4EGFRITKBUB1CFTR
SCHEMBL22124796 0.89 CDK2 (0.35) EGFRTTKCCNT1CDK9AXL
SCHEMBL25450808 0.89 TTK (0.32) TTKZAP70IDO1
SCHEMBL30385860 0.89 CDK2 (0.35) EGFRTTKCCNT1CDK9AXL
Formic Acid SCHEMBL22123789 0.89 PDE10A (0.34) TTKZAP70IDO1
SCHEMBL22123380 0.88 ZAP70 (0.39) CFTRTTKZAP70IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US 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 (5 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 BRD4 735/4885EGFR 1595/4885ITK 816/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 BRD4 735/4885EGFR 1595/4885ITK 816/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 BRD4 687/4885EGFR 1591/4885ITK 814/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X BRD4 197/4885EGFR 1297/4885ITK 565/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 BRD4 596/4885EGFR 1690/4885ITK 715/4885

“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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