SCHEMBL25450701

SCHEMBL25450701

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCC5CC[N+](C)(CC(=O)O)CC5)c(C)c4)nccn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 18/20 0.47
▸ CHRM4 P08173 1/20 0.39
▸ PTK6 Q13882 1/20 0.38

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
Formic Acid SCHEMBL25173475 0.97 TTK (0.44) TTKCHRM4PTK6
SCHEMBL25450703 0.95 TTK (0.46) TTKCHRM4PTK6
SCHEMBL25450693 0.95 TTK (0.47) TTKCHRM4PTK6
SCHEMBL25173473 0.92 TTK (0.45) TTK
Formic Acid SCHEMBL25176437 0.92 TTK (0.44) TTKCHRM4PTK6
Formic Acid SCHEMBL25173672 0.92 TTK (0.44) TTKCHRM4PTK6
SCHEMBL22123056 0.89 TTK (0.52) TTKPTK6
SCHEMBL30171539 0.89 TTK (0.49) TTKCHRM4PTK6
SCHEMBL22139073 0.89 TTK (0.49) TTKCHRM4PTK6
SCHEMBL30183333 0.83 TTK (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — 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-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES IKZF3, RRP15, IK TTK 4336/4885CHRM4 1238/4885PTK6 925/4885

“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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