SCHEMBL5529015

SCHEMBL5529015

CN1CCN(c2ccc(-c3cc(N(C(N)=O)c4ccccc4)[nH]n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.57
PRKD1 Q15139 9/20 0.47
TACR3 P29371 1/20 0.46
CHEK1 O14757 2/20 0.45
MAP4K1 Q92918 4/20 0.45
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL5526273 0.90 MELK (0.45) MELKPRKD1TACR3KDM4EFLT3
SCHEMBL5534704 0.90 MELK (0.47) MELKPRKD1TACR3MAP4K1KDM4E
SCHEMBL5531729 0.81 MELK (0.57) MELKPRKD1MAP4K1AURKAKDR
SCHEMBL12077119 0.76 FLT3 (0.52) MELKPRKD1AURKAKDRFLT3
SCHEMBL27823075 0.73 MELK (0.52) MELKPRKD1CHEK1AURKAKDR
SCHEMBL5531735 0.72 AOC3 (0.48) MELKPRKD1CHEK1MAP4K1KDR
SCHEMBL27802503 0.71 MELK (0.60) MELKPRKD1MAP4K1AURKAKDR
SCHEMBL7000736 0.71 MELK (0.54) MELKPRKD1TACR3MAP4K1AURKA
SCHEMBL27802563 0.70 PRKD1 (0.67) MELKPRKD1AURKAKDRFLT3
SCHEMBL1081001 0.70 PRKD1 (0.73) MELKPRKD1CHEK1MAP4K1AURKA

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-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 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-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 MELK 235/4885PRKD1 104/4885TACR3 2215/4885

“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.