SCHEMBL15034776

SCHEMBL15034776

CN1CCOC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5scnc5C5CCNC5)c4n3)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.37
PKN1 Q16512 1/20 0.37
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.35
BRD4 O60885 1/20 0.35
JAK1 P23458 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35

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
SCHEMBL15035007 0.91 PAK4 (0.38) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15034877 0.78 PAK4 (0.40) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15237012 0.78 PAK4 (0.39) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15237035 0.77 PTK2 (0.40) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15034822 0.75 PTK2 (0.40) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15035035 0.75 PTK2 (0.40) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15034853 0.75 JAK2 (0.43) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15041593 0.75 JAK2 (0.39) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15034918 0.74 CDK4 (0.41) PAK4PKN1JAK3
SCHEMBL15035864 0.74 TNK2 (0.38) PAK4PKN1JAK3JAK2BRD4

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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
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 (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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 PAK4 5/4885PKN1 604/4885JAK3 473/4885
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.