SCHEMBL30171808

SCHEMBL30171808

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC(=O)NCCO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.35
▸ TTK P33981 7/20 0.34
▸ SYK P43405 4/20 0.33
▸ AXL P30530 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ BCL6 P41182 1/20 0.33
▸ ZAP70 P43403 1/20 0.32
▸ KARS1 Q15046 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ IDO1 P14902 1/20 0.31

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
SCHEMBL22123448 1.00 PTK6 (0.35) PTK6TTKSYKAXLP2RX3
SCHEMBL30171593 0.94 SYK (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22122984 0.94 SYK (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL30171810 0.94 PTK6 (0.34) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22123242 0.94 PTK6 (0.34) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22122846 0.92 CDK2 (0.38) PTK6TTKSYKAXL
SCHEMBL30172018 0.92 CDK2 (0.38) PTK6TTKSYKAXL
SCHEMBL22123369 0.91 PTK6 (0.36) PTK6TTKAXLMAPKAPK5
SCHEMBL30171908 0.91 PTK6 (0.36) PTK6TTKAXLMAPKAPK5
SCHEMBL22124706 0.91 PTK6 (0.35) PTK6TTKSYKAXLP2RX3

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 PTK6 2211/4885TTK 4482/4885SYK 954/4885

“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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