SCHEMBL15035829

SCHEMBL15035829

COCC[S+]([O-])c1ncncc1Cn1c(=O)c(-c2ncsc2C)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.35
CCND1 P24385 7/20 0.35
FGFR1 P11362 6/20 0.35
FGFR4 P22455 6/20 0.35
FGFR2 P21802 5/20 0.35
FGFR3 P22607 5/20 0.35
CCNA2 P20248 6/20 0.34
CDK2 P24941 6/20 0.34
RIPK2 O43353 4/20 0.34
NOD2 Q9HC29 4/20 0.34
ACVR1 Q04771 3/20 0.34
MAPK8 P45983 1/20 0.33
PAK3 O75914 3/20 0.33
PAK1 Q13153 3/20 0.33
PAK2 Q13177 3/20 0.33
PKN1 Q16512 2/20 0.33
PAK4 O96013 1/20 0.32
LIMK1 P53667 1/20 0.32
LIMK2 P53671 1/20 0.32
TYRO3 Q06418 2/20 0.32

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
SCHEMBL15035689 0.80 RIPK2 (0.39) CDK4CCND1FGFR1FGFR4FGFR2
SCHEMBL15237005 0.77 JAK2 (0.36) CDK4CCND1FGFR1FGFR4FGFR2
SCHEMBL15035715 0.76 FGFR1 (0.34) CDK4CCND1FGFR1FGFR4FGFR2
SCHEMBL15035061 0.76 FGFR1 (0.36) CDK4CCND1FGFR1FGFR4FGFR2
SCHEMBL15034952 0.76 CDK4 (0.37) CDK4CCND1FGFR1FGFR4FGFR2
SCHEMBL15035921 0.74 PLK2 (0.38) CDK4CCND1FGFR1FGFR4FGFR2
SCHEMBL15041209 0.73 PAK3 (0.53) CDK4CCND1FGFR1FGFR4FGFR2
SCHEMBL15036159 0.73 WEE1 (0.40) CDK4CCND1FGFR1FGFR2RIPK2
SCHEMBL15041826 0.72 JAK2 (0.46) CDK4FGFR1FGFR4PKN1PAK4
SCHEMBL15034803 0.72 PAK3 (0.51) CDK4CCND1FGFR1FGFR4FGFR2

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 CDK4 441/4885CCND1 4422/4885FGFR1 2209/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885FGFR1 1919/4885

“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.