SCHEMBL22124197

SCHEMBL22124197

Cc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)NCC1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.45
▸ TTK P33981 3/20 0.45
▸ CHRM1 P11229 10/20 0.42
▸ HTR3A P46098 1/20 0.41
▸ HTR4 Q13639 1/20 0.41
▸ CHRM3 P20309 3/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ PTK2 Q05397 3/20 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
SCHEMBL22123076 0.93 TTK (0.47) PTK6TTKCHRM1PTK2
SCHEMBL30171836 0.93 TTK (0.47) PTK6TTKCHRM1PTK2
SCHEMBL30171737 0.92 TTK (0.42) PTK6TTKCNR2
SCHEMBL22123494 0.92 TTK (0.42) PTK6TTKCNR2
SCHEMBL22122910 0.90 PTK2 (0.46) PTK6TTKCHRM1HTR4PTK2
SCHEMBL30172057 0.89 PTK6 (0.43) PTK6TTKCHRM1HTR3AHTR4
SCHEMBL22123426 0.89 PTK6 (0.43) PTK6TTKCHRM1HTR3AHTR4
SCHEMBL22123879 0.87 PTK6 (0.48) PTK6TTKCHRM1HTR3AHTR4
SCHEMBL22139108 0.86 PTK2 (0.43) PTK6TTKPTK2
SCHEMBL30171895 0.86 PTK2 (0.43) PTK6TTKPTK2

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 4 patents. 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
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO 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 2211/4885TTK 4482/4885CHRM1 986/4885

“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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