SCHEMBL14681985

SCHEMBL14681985

CN(C)CCn1c(=O)c(-c2ccc(C3CCOCC3)cc2F)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 4/20 0.47
PAK4 O96013 3/20 0.47
TNK2 Q07912 12/20 0.44
PAK1 Q13153 4/20 0.41
WEE1 P30291 1/20 0.39
JAK3 P52333 1/20 0.39
SRC P12931 1/20 0.39
PAK3 O75914 3/20 0.38
PAK2 Q13177 3/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38

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
SCHEMBL13553645 0.95 PAK4 (0.47) PKN1PAK4TNK2PAK1JAK3
SCHEMBL15785223 0.81 TNK2 (0.39) PKN1PAK4TNK2PAK1JAK3
SCHEMBL15785297 0.80 TNK2 (0.43) PKN1PAK4TNK2SRC
SCHEMBL13553532 0.80 PKN1 (0.66) PKN1PAK4TNK2PAK1WEE1
SCHEMBL15785220 0.80 PAK4 (0.51) PKN1PAK4TNK2PAK1WEE1
SCHEMBL15036041 0.79 PKN1 (0.46) PKN1PAK4TNK2PAK1WEE1
SCHEMBL15041504 0.76 PKN1 (0.40) PKN1PAK4TNK2PAK1WEE1
SCHEMBL13553678 0.76 TNK2 (0.48) PKN1PAK4TNK2PAK1
SCHEMBL13553522 0.76 PAK1 (0.69) PKN1PAK4TNK2PAK1WEE1
SCHEMBL14682005 0.76 TNK2 (0.48) PKN1PAK4TNK2PAK1

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 PKN1 528/4885PAK4 6/4885TNK2 8/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PAK4 5/4885TNK2 7/4885

“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.