SCHEMBL22124706

SCHEMBL22124706

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.35
▸ TTK P33981 7/20 0.34
▸ SYK P43405 4/20 0.34
▸ AXL P30530 1/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ BCL6 P41182 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ KARS1 Q15046 1/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32

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
Hydrochloric Acid SCHEMBL30349841 0.99 PTK6 (0.35) PTK6TTKSYKAXLP2RX3
SCHEMBL22124383 0.94 SYK (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL30349791 0.94 SYK (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22124780 0.93 TTK (0.34) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL30349936 0.93 P2RX3 (0.35) PTK6TTKP2RX3MAPKAPK5FLT3
SCHEMBL22124843 0.93 P2RX3 (0.35) PTK6TTKP2RX3MAPKAPK5FLT3
SCHEMBL22124884 0.92 TTK (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22123542 0.92 TTK (0.35) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL24870783 0.92 TTK (0.37) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22124752 0.91 HTR2A (0.34) PTK6TTKP2RX3MAPKAPK5FLT3

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
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885TTK 4573/4885SYK 939/4885

“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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