SCHEMBL15041869

SCHEMBL15041869

CC(C)S(=O)(=O)c1ccc(-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.42
CCNT1 O60563 5/20 0.42
CCNK O75909 5/20 0.42
CCNE1 P24864 5/20 0.42
CDK9 P50750 5/20 0.42
CDK12 Q9NYV4 5/20 0.42
CDK7 P50613 4/20 0.42
CCNH P51946 4/20 0.42
MNAT1 P51948 3/20 0.42
PAK4 O96013 2/20 0.38
PAK1 Q13153 2/20 0.38
PKN1 Q16512 2/20 0.38
PAK3 O75914 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
PAK2 Q13177 1/20 0.38
TNK2 Q07912 1/20 0.37
RIPK2 O43353 4/20 0.36
NOD2 Q9HC29 3/20 0.36
ACVR1 Q04771 2/20 0.36

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
SCHEMBL14682124 0.87 CCNT1 (0.40) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15041677 0.84 RIPK2 (0.38) CDK2PAK4PAK1PKN1PAK3
SCHEMBL15041878 0.80 PAK4 (0.38) CDK2PAK4PAK1PKN1PAK3
SCHEMBL15041885 0.80 TNK2 (0.42) PAK4PAK1PKN1TNK2RIPK2
SCHEMBL15041894 0.80 RIPK2 (0.41) RIPK2NOD2ACVR1
SCHEMBL15041865 0.77 TNK2 (0.41) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL14682028 0.76 CDK4 (0.42) CDK2PAK4PKN1RIPK2NOD2
SCHEMBL15041446 0.74 PAK4 (0.43) PAK4PKN1TNK2
SCHEMBL15787939 0.73 TNK2 (0.41) CDK2PAK4PAK1PKN1PAK3
SCHEMBL13553608 0.72 RIPK2 (0.38) CDK2PAK4PKN1TNK2RIPK2

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 3 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-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

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 CDK2 226/4885CCNT1 4532/4885CCNK 2036/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK2 183/4885CCNT1 2002/4885CCNK 757/4885

“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.