SCHEMBL30177661

SCHEMBL30177661

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(C(=O)N6C[C@@H](O)C(O)[C@@H](O)C6)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 8/20 0.41
▸ AURKB Q96GD4 3/20 0.38
▸ LCK P06239 2/20 0.37
▸ TTK P33981 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ERBB2 P04626 2/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34

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
SCHEMBL22124102 1.00 PTK6 (0.41) PTK6AURKBLCKTTKALDH1A1
SCHEMBL22154600 1.00 PTK6 (0.41) PTK6AURKBLCKTTKALDH1A1
SCHEMBL22124101 1.00 PTK6 (0.41) PTK6AURKBLCKTTKALDH1A1
SCHEMBL22124904 0.94 PTK6 (0.40) PTK6AURKBLCKTTKALDH1A1
SCHEMBL30177735 0.94 PTK6 (0.40) PTK6AURKBLCKTTKALDH1A1
SCHEMBL30177777 0.91 PTK6 (0.41) PTK6AURKBLCKTTKERBB2
SCHEMBL22124540 0.91 PTK6 (0.41) PTK6AURKBLCKTTKERBB2
SCHEMBL22139069 0.91 PTK6 (0.44) PTK6AURKBLCKTTKALDH1A1
SCHEMBL22139059 0.91 PTK6 (0.44) PTK6AURKBLCKTTKALDH1A1
SCHEMBL30171977 0.91 PTK6 (0.44) PTK6AURKBLCKTTKALDH1A1

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 2201/4885AURKB 3265/4885LCK 2427/4885

“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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