SCHEMBL15035756

SCHEMBL15035756

CCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(Cc2nnn(C)c2[S+](C)[O-])c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.45
PAK4 O96013 1/20 0.44
PKN1 Q16512 1/20 0.44
JAK3 P52333 2/20 0.43
MAP4K3 Q8IVH8 1/20 0.42
CSF1R P07333 3/20 0.41
BRD4 O60885 3/20 0.41
JAK2 O60674 2/20 0.41
PLK1 P53350 1/20 0.40
ALK Q9UM73 1/20 0.40
TNK2 Q07912 1/20 0.39
WEE1 P30291 1/20 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
SCHEMBL15034989 0.85 JAK3 (0.43) MAP4K1PAK4PKN1JAK3MAP4K3
SCHEMBL15034921 0.80 PAK4 (0.47) MAP4K1PAK4PKN1JAK3MAP4K3
SCHEMBL15277137 0.79 BRD4 (0.45) MAP4K1PAK4PKN1JAK3CSF1R
SCHEMBL15034814 0.77 PAK4 (0.46) MAP4K1PAK4PKN1JAK3MAP4K3
SCHEMBL15035807 0.76 PAK4 (0.42) MAP4K1PAK4PKN1JAK3BRD4
SCHEMBL15034978 0.75 PAK4 (0.47) MAP4K1PAK4PKN1JAK3MAP4K3
SCHEMBL15034868 0.75 PAK4 (0.43) MAP4K1PAK4PKN1JAK3MAP4K3
SCHEMBL15035842 0.73 PAK4 (0.44) MAP4K1PAK4PKN1JAK3MAP4K3
SCHEMBL15035071 0.73 JAK2 (0.41) MAP4K1PAK4PKN1JAK3CSF1R
SCHEMBL15034945 0.72 TNK2 (0.39) MAP4K1PAK4PKN1JAK3TNK2

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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 MAP4K1 22/4885PAK4 5/4885PKN1 430/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 MAP4K1 84/4885PAK4 5/4885PKN1 326/4885

“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.