SCHEMBL28598599

SCHEMBL28598599

COc1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.44
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PPOX P50336 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
SCHEMBL28693060 0.92 EGFR (0.40) EGFR
SCHEMBL29695387 0.88 EGFR (0.52) EGFRLPLLIPGTAAR1HTR2A
SCHEMBL2112318 0.88 EGFR (0.52) EGFRLPLLIPGTAAR1HTR2A
SCHEMBL14406854 0.85 EGFR (0.39) EGFRLPLLIPGHTR2AHTR2C
SCHEMBL27192332 0.83 LPL (0.38) EGFRLPLLIPG
SCHEMBL16385172 0.83 EGFR (0.38) EGFRTAAR1CSF1RALDH1A1
SCHEMBL31118339 0.81 EGFR (0.44) EGFRLPLLIPGTAAR1HTR2A
SCHEMBL23772414 0.80 EGFR (0.45) EGFRLPLLIPGHTR2AHTR2C
SCHEMBL17752331 0.80 EGFR (0.45) EGFRLPLLIPGTAAR1HTR2A
SCHEMBL27192062 0.79 EGFR (0.38) EGFRLPLLIPGCSF1RALDH1A1

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 11 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
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 — — CN 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 (3 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 EGFR 1595/4885LPL 4467/4885LIPG 4842/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X EGFR 1297/4885LPL 4516/4885LIPG 4835/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 EGFR 1690/4885LPL 4472/4885LIPG 4841/4885

“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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