SCHEMBL14682011

SCHEMBL14682011

Cc1nc(C2CCN(C)CC2)ncc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC(=O)N2CCCC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.47
PKN1 Q16512 2/20 0.47
JAK3 P52333 2/20 0.47
TNK2 Q07912 11/20 0.41
PAK1 Q13153 1/20 0.40
PTK2 Q05397 1/20 0.40
MAP4K1 Q92918 2/20 0.39
WEE1 P30291 2/20 0.39

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
SCHEMBL15785286 0.97 PAK4 (0.48) PAK4PKN1JAK3TNK2PAK1
SCHEMBL14693017 0.93 JAK3 (0.46) PAK4PKN1JAK3TNK2PAK1
SCHEMBL13553688 0.88 JAK3 (0.42) PAK4PKN1JAK3TNK2PAK1
SCHEMBL15041280 0.85 PAK4 (0.46) PAK4PKN1JAK3TNK2PAK1
SCHEMBL13553741 0.83 PAK4 (0.46) PAK4PKN1JAK3TNK2PAK1
SCHEMBL15785344 0.82 CDK4 (0.54)
SCHEMBL15281616 0.82 WEE1 (0.46) PAK4PKN1JAK3TNK2PAK1
SCHEMBL15787940 0.81 CDK4 (0.53)
SCHEMBL15036038 0.81 PAK4 (0.47) PAK4PKN1JAK3TNK2PAK1
SCHEMBL13553709 0.81 PKN1 (0.57) PAK4PKN1JAK3TNK2PAK1

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 4 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
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 US disclosed
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 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-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 PAK4 6/4885PKN1 528/4885JAK3 783/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK4 5/4885PKN1 326/4885JAK3 1901/4885

“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.