SCHEMBL15041358

SCHEMBL15041358

CN(C)CC[S+]([O-])c1ccsc1Cn1c(=O)c(C(=O)C2CCOCC2)cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.38
JAK3 P52333 8/20 0.35
FGFR1 P11362 3/20 0.34
SRC P12931 1/20 0.34
TNK2 Q07912 1/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
ERBB3 P21860 2/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
SYK P43405 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
WEE1 P30291 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
EGFR P00533 1/20 0.33
CCNA1 P78396 1/20 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
SCHEMBL15035708 0.94 CAMK2D (0.36) CAMK2DJAK3FGFR1SRCTNK2
SCHEMBL15041189 0.81 CAMK2D (0.39) CAMK2DJAK3FGFR1SRCTNK2
SCHEMBL15237025 0.81 TNK2 (0.40) CAMK2DJAK3SRCTNK2WEE1
SCHEMBL15041608 0.79 CAMK2D (0.40) CAMK2DJAK3FGFR1SRCTNK2
SCHEMBL15041426 0.79 CAMK2D (0.39) CAMK2DJAK3FGFR1SRCTNK2
SCHEMBL15041631 0.78 CAMK2D (0.39) CAMK2DJAK3FGFR1SRCTNK2
SCHEMBL15041337 0.78 CAMK2D (0.37) CAMK2DJAK3FGFR1SRCTNK2
SCHEMBL15035664 0.78 JAK3 (0.38) CAMK2DJAK3FGFR1SRCTNK2
SCHEMBL15242120 0.78 TNK2 (0.38) CAMK2DJAK3FGFR1SRCTNK2
SCHEMBL15035794 0.78 RIPK2 (0.42) CAMK2DJAK3FGFR1SRCTNK2

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 CAMK2D 146/4885JAK3 525/4885FGFR1 2209/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CAMK2D 469/4885JAK3 1901/4885FGFR1 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.