SCHEMBL5534704

SCHEMBL5534704

CN1CCN(c2cccc(-c3cc(N(C(N)=O)c4ccccc4)[nH]n3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.47
PRKD1 Q15139 10/20 0.46
HTR2C P28335 3/20 0.45
TACR3 P29371 1/20 0.44
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
MAP4K1 Q92918 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
FLT3 P36888 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL5529015 0.90 MELK (0.57) MELKPRKD1TACR3KDM4EGLA
SCHEMBL5526273 0.80 MELK (0.45) MELKPRKD1TACR3KDM4EFLT3
SCHEMBL1493333 0.74 ADRA2C (0.55) MELKPRKD1MAP4K1FLT3JAK2
SCHEMBL27802443 0.74 PRKD1 (0.51) MELKPRKD1FLT3
SCHEMBL5531729 0.73 MELK (0.57) MELKPRKD1MAP4K1FLT3
SCHEMBL1081001 0.69 PRKD1 (0.73) MELKPRKD1MAP4K1FLT3
SCHEMBL5531735 0.69 AOC3 (0.48) MELKPRKD1MAP4K1FLT3JAK2
SCHEMBL30108214 0.68 HTR1A (0.64) HTR2CHTR1AHTR7
SCHEMBL998233 0.68 PRKD1 (0.74) MELKPRKD1MAP4K1FLT3
SCHEMBL27584804 0.67 SYK (0.37) DRD3

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 104/4885HTR2C 3282/4885

“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.