SCHEMBL15035914

SCHEMBL15035914

C=C(c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(Cc2nnn(C)c2[S+]([O-])C(C)C)c1=O)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.38
JAK3 P52333 13/20 0.35
AXL P30530 2/20 0.35
TNK2 Q07912 2/20 0.34
SRC P12931 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL15041426 0.94 CAMK2D (0.39) CAMK2DJAK3AXLTNK2SRC
SCHEMBL15034938 0.81 CAMK2D (0.36) CAMK2DJAK3AXLTNK2SRC
SCHEMBL15035708 0.80 CAMK2D (0.36) CAMK2DJAK3TNK2SRCCDK4
SCHEMBL15035664 0.80 JAK3 (0.38) CAMK2DJAK3TNK2SRCCDK4
SCHEMBL15035056 0.80 CAMK2D (0.37) CAMK2DJAK3AXLTNK2SRC
SCHEMBL15035826 0.80 CAMK2D (0.38) CAMK2DJAK3TNK2SRCEGFR
SCHEMBL15041760 0.79 CAMK2D (0.38) CAMK2DJAK3AXLTNK2SRC
SCHEMBL15035884 0.79 CAMK2D (0.37) CAMK2DJAK3TNK2SRCEGFR
SCHEMBL15034946 0.79 CAMK2D (0.38) CAMK2DJAK3TNK2SRCEGFR
SCHEMBL15034981 0.77 CAMK2D (0.37) CAMK2DJAK3AXLTNK2SRC

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 525/4885AXL 935/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CAMK2D 469/4885JAK3 1901/4885AXL 1075/4885

“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.