SCHEMBL15041898

SCHEMBL15041898

CC(C)S(=O)(=O)c1ccc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 7/20 0.41
ACVR1 Q04771 4/20 0.40
NOD2 Q9HC29 4/20 0.40
CDK4 P11802 4/20 0.40
CCND1 P24385 4/20 0.40
CDK2 P24941 4/20 0.40
CCNA2 P20248 3/20 0.40
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40
TNK2 Q07912 3/20 0.39
CAMK2D Q13557 1/20 0.38
CDK1 P06493 1/20 0.38
CDK9 P50750 1/20 0.38
PTK2 Q05397 1/20 0.38
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL14681949 0.81 FGFR1 (0.45) RIPK2ACVR1NOD2FGFR1FGFR4
SCHEMBL13553500 0.80 FGFR1 (0.45) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL14681991 0.79 PRKCZ (0.40) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL16309201 0.75 CAMK2D (0.44) RIPK2ACVR1NOD2FGFR1FGFR2
SCHEMBL15041524 0.75 RIPK2 (0.42) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15281575 0.74 TNK2 (0.43) TNK2
SCHEMBL15785237 0.73 FGFR1 (0.40) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15041484 0.73 FGFR1 (0.44) RIPK2ACVR1NOD2FGFR1FGFR2
SCHEMBL15787913 0.73 TNK2 (0.39) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15041859 0.72 CAMK2D (0.44) RIPK2ACVR1NOD2TNK2CAMK2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RIPK2 870/4885ACVR1 4855/4885NOD2 4141/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 RIPK2 971/4885ACVR1 4752/4885NOD2 4628/4885

“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.