SCHEMBL24871007

SCHEMBL24871007

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N(C)CCC1CCN(CCCC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 15/20 0.39
▸ PTK6 Q13882 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ CNR2 P34972 1/20 0.33

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
Hydrochloric Acid SCHEMBL30172087 0.99 TTK (0.39) TTKPTK6AURKAMAPKAPK5NPY1R
SCHEMBL22122961 0.96 TTK (0.40) TTKPTK6AURKAMAPKAPK5
SCHEMBL25176070 0.93 TTK (0.38) TTKPTK6AURKAMAPKAPK5CNR2
SCHEMBL22123509 0.91 TTK (0.39) TTKPTK6AURKAMAPKAPK5CNR2
SCHEMBL24870809 0.90 TTK (0.39) TTKPTK6AURKAMAPKAPK5CNR2
SCHEMBL25450786 0.89 TTK (0.39) TTKPTK6
SCHEMBL30171524 0.89 TTK (0.42) TTKPTK6MAPKAPK5
SCHEMBL24870852 0.89 TTK (0.42) TTKPTK6MAPKAPK5
Hydrochloric Acid SCHEMBL25173467 0.89 TTK (0.38) TTKPTK6
SCHEMBL22122942 0.88 TTK (0.41) TTKPTK6AURKAMAPKAPK5

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 TTK 4482/4885PTK6 2211/4885AURKA 1987/4885

“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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