SCHEMBL15035781

SCHEMBL15035781

COCC[S+]([O-])c1ccccc1Cn1c(=O)c(C2CC2)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
JAK3 P52333 2/20 0.37
PAK4 O96013 1/20 0.37
PKN1 Q16512 1/20 0.37
TNK2 Q07912 12/20 0.36
MAP4K1 Q92918 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
JAK2 O60674 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL15277151 0.86 JAK3 (0.39) CDK4CCND1CCND2CCND3JAK3
SCHEMBL15237012 0.79 PAK4 (0.39) CDK4CCND1CCND2CCND3JAK3
SCHEMBL15034877 0.79 PAK4 (0.40) CDK4CCND1CCND2CCND3JAK3
SCHEMBL15277166 0.77 PAK3 (0.39) CDK4CCND1CCND3JAK3PAK4
SCHEMBL15035864 0.76 TNK2 (0.38) JAK3PAK4PKN1TNK2MAP4K1
SCHEMBL15041355 0.76 CAMK2D (0.41) CDK4CCND1CCND2CCND3JAK3
SCHEMBL15035638 0.76 CAMK2D (0.39) CDK4CCND1CCND2CCND3JAK3
SCHEMBL15035007 0.74 PAK4 (0.38) JAK3PAK4PKN1JAK2BRD4
SCHEMBL15034918 0.74 CDK4 (0.41) CDK4CCND1CCND2CCND3JAK3
SCHEMBL15034776 0.73 PAK4 (0.37) JAK3PAK4PKN1JAK2BRD4

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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CCND2 2332/4885

“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.