SCHEMBL30177671

SCHEMBL30177671

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)N2CCN[C@@H](C(=O)O)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.42
▸ AURKB Q96GD4 6/20 0.37
▸ LCK P06239 5/20 0.34
▸ JAK2 O60674 5/20 0.34
▸ JAK1 P23458 5/20 0.34
▸ TTK P33981 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
SCHEMBL22124320 1.00 PTK6 (0.42) PTK6AURKBLCKJAK2JAK1
SCHEMBL30177956 1.00 PTK6 (0.42) PTK6AURKBLCKJAK2JAK1
SCHEMBL24977845 0.93 PTK6 (0.51) PTK6AURKBLCK
SCHEMBL22124433 0.92 PTK6 (0.44) PTK6AURKBLCKTTK
SCHEMBL30177831 0.92 PTK6 (0.44) PTK6AURKBLCKTTK
SCHEMBL30177783 0.92 PTK6 (0.44) PTK6AURKBLCKTTK
SCHEMBL22123909 0.92 PTK6 (0.50) PTK6AURKBLCKTTK
Formic Acid SCHEMBL30172051 0.89 PTK6 (0.48) PTK6AURKBLCKTTK
SCHEMBL22123779 0.89 PTK6 (0.52) PTK6AURKBLCKTTK
SCHEMBL22142840 0.88 PTK6 (0.42) PTK6AURKBLCKJAK2JAK1

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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