SCHEMBL30171977

SCHEMBL30171977

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(C(=O)O)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 9/20 0.44
▸ AURKB Q96GD4 4/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ LCK P06239 3/20 0.39
▸ TTK P33981 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ERBB2 P04626 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36

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
SCHEMBL22139059 1.00 PTK6 (0.44) PTK6AURKBKMT2ALCKTTK
SCHEMBL22139069 0.94 PTK6 (0.44) PTK6AURKBLCKTTKALDH1A1
SCHEMBL22139062 0.92 PTK6 (0.43) PTK6AURKBLCKTTKALDH1A1
SCHEMBL25170317 0.91 PTK6 (0.46) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL30177887 0.91 PTK6 (0.40) PTK6AURKBLCKTTKALDH1A1
SCHEMBL22124101 0.91 PTK6 (0.41) PTK6AURKBLCKTTKALDH1A1
SCHEMBL24870816 0.91 PTK6 (0.41) PTK6AURKBLCKTTK
SCHEMBL22124102 0.91 PTK6 (0.41) PTK6AURKBLCKTTKALDH1A1
SCHEMBL22154600 0.91 PTK6 (0.41) PTK6AURKBLCKTTKALDH1A1
SCHEMBL30177661 0.91 PTK6 (0.41) PTK6AURKBLCKTTKALDH1A1

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
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230011869-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 PTK6 2201/4885AURKB 3265/4885KMT2A 3310/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885AURKB 3265/4885KMT2A 3310/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885AURKB 3352/4885KMT2A 3307/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885AURKB 3169/4885KMT2A 2990/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885AURKB 3359/4885KMT2A 3470/4885

“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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