SCHEMBL14682124

SCHEMBL14682124

CN(CCn1c(=O)c(-c2ccc(-c3cnccn3)cc2F)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.40
CCNK O75909 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
CDK12 Q9NYV4 2/20 0.40
STK4 Q13043 5/20 0.38
STK3 Q13188 5/20 0.38
SIK2 Q9H0K1 5/20 0.38
STK26 Q9P289 5/20 0.38
STK24 Q9Y6E0 5/20 0.38
PAK1 Q13153 6/20 0.37
PKN1 Q16512 3/20 0.37
PAK3 O75914 3/20 0.37
PAK2 Q13177 3/20 0.37
PAK4 O96013 2/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
TNK2 Q07912 1/20 0.36
RIPK2 O43353 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
SCHEMBL15041869 0.87 CDK2 (0.42) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL15787838 0.83 SIK2 (0.45) STK4STK3SIK2STK26STK24
SCHEMBL15041878 0.78 PAK4 (0.38) CDK2STK4STK3SIK2STK26
SCHEMBL14682028 0.76 CDK4 (0.42) CDK2STK4STK3SIK2STK26
SCHEMBL15041885 0.76 TNK2 (0.42) PAK1PKN1PAK4TNK2RIPK2
SCHEMBL15041894 0.75 RIPK2 (0.41) RIPK2ACVR1NOD2
SCHEMBL14693007 0.75 RIPK2 (0.40) STK4STK3SIK2STK26STK24
SCHEMBL13553620 0.74 CDK4 (0.46) CCNE1CDK2PAK1PKN1PAK3
SCHEMBL13553608 0.74 RIPK2 (0.38) CDK2STK4STK3SIK2STK26
SCHEMBL15041475 0.74 RIPK2 (0.38) CDK2STK4STK3SIK2STK26

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-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-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 US disclosed
US-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 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 CCNT1 4269/4885CCNK 1716/4885CCNE1 3907/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CCNT1 2002/4885CCNK 757/4885CCNE1 1585/4885

“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.