SCHEMBL30172000

SCHEMBL30172000

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CC(=O)N5CCC(CN(C)C)C5)c(C)c4)nccn23)cc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.40
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ PTK6 Q13882 3/20 0.39
▸ PIK3CD O00329 3/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ FASN P49327 1/20 0.35
▸ ERBB2 P04626 2/20 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
SCHEMBL22123009 1.00 TTK (0.40) TTKMAPKAPK5PTK6PIK3CDAURKB
SCHEMBL22139063 0.89 PTK6 (0.49) TTKMAPKAPK5PTK6AURKB
SCHEMBL30183522 0.89 PTK6 (0.49) TTKMAPKAPK5PTK6AURKB
SCHEMBL22124554 0.88 PTK6 (0.43) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL22139099 0.88 MAPKAPK5 (0.50) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL30171560 0.88 MAPKAPK5 (0.50) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL24870847 0.88 PTK6 (0.43) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL22123255 0.86 PTK6 (0.44) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL22123361 0.86 MAPKAPK5 (0.44) TTKMAPKAPK5PTK6AURKBSYK
SCHEMBL22124388 0.86 MAPKAPK5 (0.40) TTKMAPKAPK5PTK6AURKBSYK

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
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP 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
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 (4 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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4546/4885MAPKAPK5 728/4885PTK6 2201/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4573/4885MAPKAPK5 695/4885PTK6 2141/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885MAPKAPK5 516/4885PTK6 1818/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885MAPKAPK5 647/4885PTK6 2211/4885

“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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