SCHEMBL30177633

SCHEMBL30177633

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4Cl)cnc23)ccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 19/20 0.42
▸ LCK P06239 6/20 0.35
▸ AURKB Q96GD4 5/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33

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
SCHEMBL22124449 1.00 PTK6 (0.42) PTK6LCKAURKBJAK2JAK1
Formic Acid SCHEMBL25174774 0.98 PTK6 (0.40) PTK6LCKAURKBJAK2JAK1
Formic Acid SCHEMBL30171791 0.98 PTK6 (0.40) PTK6LCKAURKBJAK2JAK1
SCHEMBL30177896 0.95 PTK6 (0.42) PTK6LCKAURKBJAK2JAK1
SCHEMBL22124513 0.95 PTK6 (0.40) PTK6LCKAURKBJAK2JAK1
SCHEMBL22155092 0.95 PTK6 (0.40) PTK6LCKAURKBJAK2JAK1
SCHEMBL22139101 0.95 PTK6 (0.40) PTK6LCKAURKBJAK2JAK1
SCHEMBL22125471 0.94 PTK6 (0.48) PTK6LCKAURKB
SCHEMBL22139076 0.94 PTK6 (0.48) PTK6LCKAURKB
Formic Acid SCHEMBL25174741 0.92 PTK6 (0.39) PTK6LCKAURKBJAK2JAK1

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 2427/4885AURKB 3265/4885

“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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