SCHEMBL30626720

SCHEMBL30626720

COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(CCN(C)C)cc4)c3n2)cc(Cl)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 19/20 1.00
▸ DYRK1A Q13627 1/20 0.61

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
SCHEMBL16338112 1.00 MELK (1.00) MELKDYRK1A
Hydrochloric Acid SCHEMBL17260530 0.99 MELK (0.98) MELKDYRK1A
SCHEMBL16336195 0.93 MELK (1.00) MELKDYRK1A
SCHEMBL30626735 0.93 MELK (1.00) MELKDYRK1A
Hydrochloric Acid SCHEMBL16337915 0.92 MELK (0.98) MELKDYRK1A
SCHEMBL16336817 0.90 MELK (1.00) MELKDYRK1A
Hydrochloric Acid SCHEMBL16337989 0.89 MELK (0.98) MELKDYRK1A
SCHEMBL16369197 0.88 MELK (0.88) MELKDYRK1A
SCHEMBL16338151 0.87 MELK (1.00) MELK
Hydrochloric Acid SCHEMBL16336958 0.87 MELK (0.99) MELK

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-20230301973-A1 TREATMENT OF DIFFUSE INTRINSIC PONTINE GLIOMA FLOHIL JACOB ARY (NL) 2023-09-28 — — 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-20230301973-A1 TREATMENT OF DIFFUSE INTRINSIC PONTINE GLIOMA ABCC2, SLC2A2, ABCB1 MELK 13/4885DYRK1A 173/4885

“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.

Send feedback