SCHEMBL30171544

SCHEMBL30171544

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5CCN(C(=N)N)CC5)c(Cl)c4)nccn23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 9/20 0.47
▸ F10 P00742 2/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ SYK P43405 2/20 0.40
▸ LCK P06239 4/20 0.40
▸ AURKB Q96GD4 3/20 0.39
▸ TTK P33981 4/20 0.38
▸ HTR4 Q13639 2/20 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
SCHEMBL22122940 1.00 PTK6 (0.47) PTK6F10MAPKAPK5SYKLCK
SCHEMBL30171838 0.89 F10 (0.46) PTK6F10MAPKAPK5SYKLCK
SCHEMBL22122824 0.89 F10 (0.46) PTK6F10MAPKAPK5SYKLCK
SCHEMBL22125110 0.86 PTK6 (0.58) PTK6MAPKAPK5LCKAURKB
Hydrochloric Acid SCHEMBL30171738 0.85 PTK6 (0.57) PTK6MAPKAPK5LCKAURKB
SCHEMBL22142952 0.84 PTK6 (0.59) PTK6MAPKAPK5LCKAURKB
SCHEMBL30171900 0.83 F10 (0.41) PTK6F10MAPKAPK5SYKTTK
SCHEMBL22122975 0.83 F10 (0.41) PTK6F10MAPKAPK5SYKTTK
SCHEMBL22123046 0.83 TTK (0.40) PTK6F10MAPKAPK5SYKTTK
SCHEMBL30171688 0.83 TTK (0.40) PTK6F10MAPKAPK5SYKTTK

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 2211/4885F10 2530/4885MAPKAPK5 647/4885

“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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