SCHEMBL30171980

SCHEMBL30171980

CNC(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)cc1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.41
▸ SYK P43405 5/20 0.40
▸ PTK2 Q05397 3/20 0.40
▸ PTK6 Q13882 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CDKL1 Q00532 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ IDO1 P14902 2/20 0.38

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
SCHEMBL22123172 1.00 TTK (0.41) TTKSYKPTK2PTK6KCNH2
SCHEMBL25170422 0.92 SYK (0.41) TTKSYKPTK6IDO1
SCHEMBL25173403 0.92 SYK (0.41) TTKSYKPTK2PTK6IDO1
SCHEMBL30171749 0.91 SYK (0.49) SYKPTK6KCNH2
Hydrochloric Acid SCHEMBL30385672 0.91 SYK (0.40) TTKSYKPTK6IDO1
SCHEMBL30385514 0.91 SYK (0.40) TTKSYKPTK6IDO1
SCHEMBL24916600 0.90 PTK2 (0.39) TTKSYKPTK2PTK6KCNH2
SCHEMBL22124340 0.89 CDK2 (0.44) TTKSYKPTK6KCNH2IDO1
SCHEMBL30202051 0.89 TTK (0.41) TTKSYKPTK6IDO1
SCHEMBL30386133 0.89 SYK (0.39) TTKSYKPTK2PTK6IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL 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

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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885SYK 954/4885PTK2 4090/4885

“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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