SCHEMBL15035923

SCHEMBL15035923

CN1CCC(Oc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5cncnc5[S+]([O-])c5ccncc5)c4n3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.37
CDK4 P11802 4/20 0.34
CCND1 P24385 4/20 0.34
TNK2 Q07912 3/20 0.34
SRC P12931 1/20 0.34
JAK3 P52333 2/20 0.33
CDK2 P24941 6/20 0.33
CCNA2 P20248 5/20 0.33
AURKA O14965 2/20 0.33
TTK P33981 1/20 0.33
FGFR1 P11362 5/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
FGFR3 P22607 2/20 0.32
CCNA1 P78396 1/20 0.32
INSR P06213 1/20 0.32
AXL P30530 1/20 0.32
KDR P35968 1/20 0.32
PIK3CD O00329 1/20 0.32
PRKAB2 O43741 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
SCHEMBL15277171 0.91 JAK3 (0.33) CDK4CCND1TNK2JAK3CDK2
SCHEMBL15035059 0.74 BRAF (0.36) CDK4CCND1TNK2JAK3CDK2
SCHEMBL15034846 0.74 TNK2 (0.37) CDK4CCND1TNK2JAK3CDK2
SCHEMBL15041357 0.74 CDK4 (0.40) CDK4CCND1TNK2CDK2CCNA2
SCHEMBL15035709 0.73 JAK3 (0.37) CDK4CCND1TNK2SRCJAK3
SCHEMBL15035666 0.73 CDK4 (0.35) CDK4CCND1TNK2CDK2CCNA2
SCHEMBL15036363 0.71 AXL (0.36) CAMK2DCDK4CCND1TNK2SRC
SCHEMBL15280131 0.71 CAMK2D (0.40) CAMK2DCDK4CCND1JAK3CDK2
SCHEMBL15237006 0.71 BRAF (0.36) CDK4CCND1TNK2CDK2CCNA2
SCHEMBL15034985 0.70 CDK4 (0.41) CDK4CCND1TNK2JAK3CDK2

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-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 (1 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CAMK2D 469/4885CDK4 404/4885CCND1 2153/4885

“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.