SCHEMBL30171836

SCHEMBL30171836

Cc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)NCCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 10/20 0.47
▸ PTK6 Q13882 7/20 0.44
▸ PTK2 Q05397 1/20 0.40
▸ CHRM1 P11229 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36

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
SCHEMBL22123076 1.00 TTK (0.47) TTKPTK6PTK2CHRM1BRAF
SCHEMBL22124197 0.93 PTK6 (0.45) TTKPTK6PTK2CHRM1
SCHEMBL22123079 0.92 TTK (0.44) TTKPTK6
SCHEMBL30172086 0.92 TTK (0.44) TTKPTK6
SCHEMBL24870734 0.87 TTK (0.54) TTKPTK6
SCHEMBL30171787 0.87 TTK (0.54) TTKPTK6
SCHEMBL22123704 0.86 TTK (0.42) TTKPTK6BRAF
SCHEMBL25013672 0.85 TTK (0.55) TTKPTK6
SCHEMBL22122965 0.85 TTK (0.41) TTKPTK6BRAF
SCHEMBL22123494 0.85 TTK (0.42) TTKPTK6

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 TTK 4482/4885PTK6 2211/4885PTK2 4090/4885

“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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