SCHEMBL20290866

SCHEMBL20290866

O=C(Nc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1O

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 6/20 0.77
▸ FLT3 P36888 2/20 0.77
▸ CAMK2G Q13555 1/20 0.75
▸ CAMK2D Q13557 1/20 0.75
▸ MYLK Q15746 1/20 0.75
▸ MKNK2 Q9HBH9 1/20 0.75
▸ SLC2A1 P11166 2/20 0.49
▸ CREBBP Q92793 2/20 0.44
▸ ROCK2 O75116 3/20 0.43
▸ XDH P47989 1/20 0.41
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 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
SCHEMBL29547897 0.87 MELK (1.00) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL23818372 0.87 MELK (1.00) MELKFLT3CAMK2GCAMK2DMYLK
Hydrochloric Acid SCHEMBL30341843 0.86 MELK (1.00) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291161 0.82 MELK (0.74) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291125 0.81 MELK (0.73) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20290500 0.81 MELK (0.73) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291298 0.80 MELK (0.71) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20290838 0.80 MELK (0.70) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291160 0.79 MELK (0.69) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20290843 0.78 MELK (0.67) MELKFLT3CAMK2GCAMK2DMYLK

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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