SCHEMBL30178012

SCHEMBL30178012

CNCC(=O)N1CCN(C(=O)c2ccc(Nc3nccn4c(-c5ccc(OC)c(F)c5F)cnc34)cc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 13/20 0.44
▸ AURKB Q96GD4 5/20 0.41
▸ LCK P06239 5/20 0.36
▸ TTK P33981 3/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ ERBB2 P04626 1/20 0.35

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
SCHEMBL22124049 0.94 PTK6 (0.46) PTK6AURKBLCK
SCHEMBL22125392 0.92 PTK6 (0.54) PTK6AURKBLCK
Hydrochloric Acid SCHEMBL25170321 0.92 PTK6 (0.53) PTK6AURKBLCK
SCHEMBL22139158 0.91 PTK6 (0.46) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL25170317 0.91 PTK6 (0.46) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL30386412 0.91 PTK6 (0.42) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL25444811 0.91 PTK6 (0.44) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22124033 0.89 PTK6 (0.48) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22124899 0.89 PTK6 (0.56) PTK6AURKBLCKTTK
SCHEMBL30177799 0.89 PTK6 (0.56) PTK6AURKBLCKTTK

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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