SCHEMBL15041828

SCHEMBL15041828

CC(C)[S+]([O-])c1ccoc1Cn1c(=O)c(C(=O)C2CC2)cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.36
CCND1 P24385 6/20 0.36
CDK2 P24941 5/20 0.36
CCNA2 P20248 4/20 0.36
FGFR1 P11362 3/20 0.36
FGFR2 P21802 3/20 0.36
FGFR4 P22455 3/20 0.36
FGFR3 P22607 3/20 0.36
PTK2 Q05397 1/20 0.33
BRAF P15056 1/20 0.32
REN P00797 7/20 0.32
SYK P43405 1/20 0.32
CCND3 P30281 2/20 0.32
MAPKAPK2 P49137 1/20 0.32
CCND2 P30279 1/20 0.31
CDK1 P06493 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL15035703 0.95 CDK4 (0.36) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041404 0.81 CDK4 (0.38) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041648 0.79 CDK4 (0.35) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15242117 0.78 CDK4 (0.37) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041645 0.77 CDK4 (0.36) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15034836 0.76 CDK4 (0.36) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041755 0.76 CDK4 (0.36) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035909 0.74 CDK4 (0.35) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035048 0.73 CDK4 (0.36) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041573 0.73 CDK4 (0.42) CDK4CCND1CDK2CCNA2FGFR1

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-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

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 4422/4885CDK2 211/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CDK2 183/4885

“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.