SCHEMBL30171811

SCHEMBL30171811

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 9/20 0.43
▸ AURKB Q96GD4 4/20 0.40
▸ LCK P06239 3/20 0.39
▸ TTK P33981 6/20 0.38
▸ BRAF P15056 1/20 0.38
▸ MAPK14 Q16539 1/20 0.36
▸ ERBB2 P04626 2/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.35

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
SCHEMBL22124263 1.00 PTK6 (0.43) PTK6AURKBLCKTTKBRAF
SCHEMBL22123938 0.93 PTK6 (0.43) PTK6AURKBLCKTTKERBB2
SCHEMBL30171750 0.93 PTK6 (0.43) PTK6AURKBLCKTTKERBB2
SCHEMBL22139069 0.90 PTK6 (0.44) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22139059 0.90 PTK6 (0.44) PTK6AURKBLCKTTKERBB2
SCHEMBL30171977 0.90 PTK6 (0.44) PTK6AURKBLCKTTKERBB2
SCHEMBL22123983 0.89 PTK6 (0.42) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL25170317 0.89 PTK6 (0.46) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22139158 0.89 PTK6 (0.46) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL25444811 0.88 PTK6 (0.44) PTK6AURKBLCKTTKMAPKAPK5

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
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-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 PTK6 2201/4885AURKB 3265/4885LCK 2427/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885AURKB 3265/4885LCK 2427/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885AURKB 3352/4885LCK 2521/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885AURKB 3169/4885LCK 2006/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885AURKB 3359/4885LCK 2521/4885

“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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