SCHEMBL24870717

SCHEMBL24870717

Cc1cc(Nc2nccn3c(-c4ccc(OCC=N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)N2CCNCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 19/20 0.51
▸ AURKB Q96GD4 8/20 0.44
▸ LCK P06239 7/20 0.42
▸ TTK P33981 1/20 0.37

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
SCHEMBL24940099 0.92 PTK6 (0.48) PTK6AURKBLCKTTK
SCHEMBL22124402 0.91 PTK6 (0.54) PTK6AURKBLCK
SCHEMBL22123909 0.90 PTK6 (0.50) PTK6AURKBLCKTTK
Formic Acid SCHEMBL30172051 0.89 PTK6 (0.48) PTK6AURKBLCKTTK
SCHEMBL22124899 0.88 PTK6 (0.56) PTK6AURKBLCKTTK
SCHEMBL30177799 0.88 PTK6 (0.56) PTK6AURKBLCKTTK
Hydrochloric Acid SCHEMBL25173591 0.88 PTK6 (0.55) PTK6AURKBLCKTTK
SCHEMBL24939258 0.88 PTK6 (0.41) PTK6AURKBLCKTTK
SCHEMBL22123779 0.87 PTK6 (0.52) PTK6AURKBLCKTTK
SCHEMBL22123454 0.87 PTK6 (0.52) 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-20230012368-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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885AURKB 3359/4885LCK 2521/4885

“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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