SCHEMBL22124796

SCHEMBL22124796

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ EGFR P00533 2/20 0.34
▸ PTK2 Q05397 4/20 0.33
▸ ALK Q9UM73 2/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ RAD52 P43351 2/20 0.32
▸ TTK P33981 3/20 0.32
▸ QPCT Q16769 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ZAP70 P43403 1/20 0.31
▸ KARS1 Q15046 1/20 0.31

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
SCHEMBL30385860 1.00 CDK2 (0.35) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL22123589 0.93 TTK (0.35) TTKZAP70KARS1
SCHEMBL22124722 0.92 PDE10A (0.35) PTK2TTKZAP70KARS1
SCHEMBL24112394 0.92 TTK (0.34) PTK2TTKZAP70KARS1
SCHEMBL22124854 0.92 PDE10A (0.35) PTK2TTKZAP70KARS1
SCHEMBL25450808 0.91 TTK (0.32) PTK2TTKZAP70KARS1
SCHEMBL22124716 0.90 TTK (0.31) EGFRIGF1RTTK
Formic Acid SCHEMBL22123789 0.90 PDE10A (0.34) PTK2TTKZAP70KARS1
SCHEMBL30171536 0.89 BRD4 (0.39) CCNT1CDK9EGFRTTKAXL
SCHEMBL22123380 0.89 ZAP70 (0.39) PTK2TTKZAP70KARS1

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 6 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 claimed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 CDK2 1017/4885CCNT1 295/4885CCNA2 2085/4885

“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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