SCHEMBL30172079

SCHEMBL30172079

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC1CN(C(=O)CN)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.36
▸ PTK2 Q05397 3/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ TTK P33981 8/20 0.34
▸ SYK P43405 3/20 0.33
▸ AXL P30530 2/20 0.33
▸ AURKB Q96GD4 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL22123023 1.00 PTK6 (0.36) PTK6PTK2MAPKAPK5TTKSYK
SCHEMBL24870895 0.92 PTK6 (0.36) PTK6PTK2MAPKAPK5TTKSYK
SCHEMBL30171671 0.92 PTK6 (0.36) PTK6PTK2MAPKAPK5TTKSYK
SCHEMBL30171920 0.89 TTK (0.38) PTK6PTK2MAPKAPK5TTKSYK
SCHEMBL22123038 0.89 TTK (0.38) PTK6PTK2MAPKAPK5TTKSYK
SCHEMBL22122975 0.88 F10 (0.41) PTK6PTK2MAPKAPK5TTKSYK
SCHEMBL30171900 0.88 F10 (0.41) PTK6PTK2MAPKAPK5TTKSYK
SCHEMBL22123264 0.88 PTK2 (0.46) PTK6PTK2MAPKAPK5TTKAURKB
SCHEMBL22122926 0.88 SYK (0.38) PTK6MAPKAPK5TTKSYKAXL
SCHEMBL22123124 0.87 SYK (0.37) PTK6MAPKAPK5TTKSYKAXL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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 2211/4885PTK2 4090/4885MAPKAPK5 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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