SCHEMBL20290848

SCHEMBL20290848

O=C(Nc1ccc2c(c1)CCNCC2)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 3/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ CAMK2G Q13555 1/20 0.51
▸ CAMK2D Q13557 1/20 0.51
▸ MYLK Q15746 1/20 0.51
▸ MKNK2 Q9HBH9 1/20 0.51
▸ MET P08581 4/20 0.49
▸ SLC2A1 P11166 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ MCL1 Q07820 1/20 0.44
▸ SGMS2 Q8NHU3 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ CFD P00746 1/20 0.42
▸ F11 P03951 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL20291125 0.84 MELK (0.73) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291308 0.83 MET (0.53) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291160 0.77 MELK (0.69) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20290495 0.73 MELK (0.58) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291124 0.69 MELK (0.52) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291306 0.69 MET (0.49) METGAASGMS2MEN1KMT2A
SCHEMBL20290510 0.68 LRRK2 (0.69) GAASGMS2MEN1KMT2ALRRK2
SCHEMBL23818372 0.68 MELK (1.00) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL29547897 0.68 MELK (1.00) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL22568218 0.68 MCL1 (0.58) GAAMCL1SGMS2PTPN1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10875844-B2 Salicylate inhibitors of MELK and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-29 — — US disclosed
US-20180170912-A1 SALICYLATE INHIBITORS OF MELK AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2018-06-21 — — 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 (2 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-20180170912-A1 SALICYLATE INHIBITORS OF MELK AND METHODS OF USE MELK, HIPK3, MINK1 MELK 1/4885FLT3 382/4885CAMK2G 270/4885
US-10875844-B2 Salicylate inhibitors of MELK and methods of use MELK, HIPK3, MINK1 MELK 1/4885FLT3 382/4885CAMK2G 270/4885

“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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