SCHEMBL30177658

SCHEMBL30177658

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4)cnc23)ccc1C(=O)N1CCC(CN)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.47
▸ MAPKAPK5 Q8IW41 2/20 0.47
▸ AURKB Q96GD4 7/20 0.42
▸ LCK P06239 6/20 0.40
▸ SYK P43405 2/20 0.40
▸ TTK P33981 4/20 0.39

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
SCHEMBL22123902 1.00 PTK6 (0.47) PTK6MAPKAPK5AURKBLCKSYK
SCHEMBL22123974 0.92 PTK6 (0.48) PTK6MAPKAPK5AURKBLCKSYK
SCHEMBL22125182 0.92 PTK6 (0.47) PTK6MAPKAPK5AURKBLCKSYK
Hydrochloric Acid SCHEMBL30172070 0.92 PTK6 (0.47) PTK6MAPKAPK5AURKBLCKSYK
SCHEMBL30202027 0.92 PTK6 (0.47) PTK6MAPKAPK5AURKBLCKSYK
SCHEMBL22125110 0.92 PTK6 (0.58) PTK6MAPKAPK5AURKBLCK
Hydrochloric Acid SCHEMBL30171738 0.91 PTK6 (0.57) PTK6MAPKAPK5AURKBLCK
SCHEMBL22123278 0.91 PTK6 (0.48) PTK6MAPKAPK5AURKBLCKSYK
SCHEMBL22124055 0.91 PTK6 (0.48) PTK6MAPKAPK5AURKBLCKSYK
SCHEMBL22124378 0.91 MAPKAPK5 (0.47) PTK6MAPKAPK5AURKBLCKSYK

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-20230011869-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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885MAPKAPK5 728/4885AURKB 3265/4885

“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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