SCHEMBL15036033

SCHEMBL15036033

CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5S(C)(=O)=O)c(=O)n(CCN5CCOCC5)c4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.50
PKN1 Q16512 2/20 0.50
JAK3 P52333 2/20 0.49
JAK2 O60674 2/20 0.46
BRD4 O60885 2/20 0.46
MAP4K1 Q92918 4/20 0.45
TNK2 Q07912 5/20 0.44
AURKA O14965 2/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
WEE1 P30291 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PAK1 Q13153 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL15036075 0.80 PKN1 (0.38) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15036109 0.79 PKN1 (0.56) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15036156 0.79 PAK4 (0.47) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15785220 0.78 PAK4 (0.51) PAK4PKN1JAK3MAP4K1TNK2
SCHEMBL13553690 0.77 PAK4 (0.50) PAK4PKN1JAK3TNK2PAK1
SCHEMBL15041444 0.76 JAK3 (0.44) PAK4PKN1JAK3JAK2BRD4
SCHEMBL15787978 0.76 JAK3 (0.50) PAK4PKN1JAK3MAP4K1TNK2
SCHEMBL15041699 0.76 AURKA (0.43) PAK4PKN1JAK3JAK2TNK2
SCHEMBL13553830 0.76 PAK4 (0.45) PAK4PKN1JAK3MAP4K1TNK2
SCHEMBL15785363 0.76 JAK3 (0.49) PAK4PKN1JAK3MAP4K1TNK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 PAK4 5/4885PKN1 534/4885JAK3 460/4885
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.