SCHEMBL30177855

SCHEMBL30177855

Cc1cc(Nc2nccn3c(-c4ccc(C(F)F)cc4)cnc23)ccc1C(=O)N1CCC(C(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.47
▸ TTK P33981 10/20 0.45
▸ MAPKAPK5 Q8IW41 3/20 0.45
▸ LCK P06239 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ GRM4 Q14833 1/20 0.40

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
SCHEMBL22123962 0.91 PTK6 (0.47) PTK6TTKMAPKAPK5LCKALDH1A1
SCHEMBL22139086 0.86 PTK6 (0.49) PTK6TTKMAPKAPK5LCKALDH1A1
SCHEMBL24978286 0.84 PTK6 (0.47) PTK6TTKMAPKAPK5LCKAURKB
SCHEMBL22123995 0.84 PTK6 (0.48) PTK6TTKMAPKAPK5LCKAURKB
SCHEMBL25436549 0.83 PTK6 (0.47) PTK6TTKLCKAURKB
SCHEMBL22124987 0.83 PTK6 (0.48) PTK6TTKMAPKAPK5LCKAURKB
SCHEMBL22125004 0.83 PTK6 (0.47) PTK6TTKMAPKAPK5LCKAURKB
SCHEMBL22123979 0.82 PTK6 (0.44) PTK6TTKMAPKAPK5LCKALDH1A1
SCHEMBL22139085 0.82 PTK6 (0.47) PTK6TTKMAPKAPK5LCKAURKB
SCHEMBL24939930 0.82 PTK6 (0.52) PTK6TTKMAPKAPK5LCKAURKB

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 2201/4885TTK 4546/4885MAPKAPK5 728/4885

“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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