SCHEMBL30177691

SCHEMBL30177691

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(CCO)CC5)c(C)c4)nccn23)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 13/20 0.53
▸ LCK P06239 4/20 0.53
▸ DRD2 P14416 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ AURKB Q96GD4 4/20 0.42
▸ TTK P33981 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.40

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
SCHEMBL22124574 1.00 PTK6 (0.53) PTK6LCKDRD2DRD3AURKB
SCHEMBL30171606 0.91 PTK6 (0.53) PTK6LCKDRD2DRD3AURKB
SCHEMBL22124498 0.91 PTK6 (0.53) PTK6LCKDRD2DRD3AURKB
SCHEMBL22125276 0.90 TTK (0.49) PTK6LCKDRD2DRD3TTK
SCHEMBL30177817 0.89 PTK6 (0.50) PTK6LCKAURKBTTKHPGD
SCHEMBL22125040 0.89 PTK6 (0.50) PTK6LCKAURKBTTKHPGD
SCHEMBL30171983 0.88 PTK6 (0.52) PTK6LCKAURKBTTKKDM4E
SCHEMBL22125155 0.88 PTK6 (0.52) PTK6LCKAURKBTTKKDM4E
SCHEMBL22124013 0.87 PTK6 (0.52) PTK6LCKAURKBTTKMAPKAPK5
SCHEMBL22123966 0.86 PTK6 (0.49) PTK6LCKAURKBTTKMAPKAPK5

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-20230011869-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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885LCK 2427/4885DRD2 2282/4885

“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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