SCHEMBL25450706

SCHEMBL25450706

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCOCC[N+](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.35
▸ TTK P33981 7/20 0.32
▸ AXL P30530 1/20 0.32
▸ SYK P43405 3/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ AURKB Q96GD4 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDE4B Q07343 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ GPR52 Q9Y2T5 1/20 0.30
▸ AURKA O14965 1/20 0.30

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
Formic Acid SCHEMBL25173631 0.97 ADRA2B (0.34) PTK6TTKAXLSYKMAPKAPK5
SCHEMBL25450732 0.94 PTK6 (0.35) PTK6TTKAXLSYKMAPKAPK5
SCHEMBL25450762 0.94 PTK6 (0.34) PTK6TTKAXLSYKMAPKAPK5
SCHEMBL24112091 0.93 PTK6 (0.36) PTK6TTKAXLSYKMAPKAPK5
SCHEMBL30385923 0.93 PTK6 (0.33) PTK6TTKAXLSYKMAPKAPK5
SCHEMBL25450761 0.93 PTK6 (0.33) PTK6TTKAXLSYKMAPKAPK5
SCHEMBL25450765 0.92 SYK (0.33) PTK6TTKAXLSYKMAPKAPK5
SCHEMBL25450746 0.92 PTK6 (0.35) PTK6TTKAXLSYKMAPKAPK5
SCHEMBL25452733 0.92 PTK6 (0.34) PTK6TTKAXLSYKMAPKAPK5
SCHEMBL22123578 0.92 SYK (0.36) PTK6TTKAXLSYKMAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — 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-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES IKZF3, RRP15, IK PTK6 925/4885TTK 4336/4885AXL 1164/4885

“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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