SCHEMBL15041337

SCHEMBL15041337

CN1CCCC(Oc2ccc(Nc3ncc4cc(C(=O)C5CCOCC5)c(=O)n(Cc5ccsc5C5=CCCC5)c4n3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.37
TNK2 Q07912 5/20 0.37
SRC P12931 2/20 0.37
INSR P06213 1/20 0.35
AXL P30530 1/20 0.35
KDR P35968 1/20 0.35
FGFR1 P11362 3/20 0.35
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
CCNA2 P20248 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR4 P22455 2/20 0.35
FGFR3 P22607 2/20 0.35
CDK2 P24941 2/20 0.35
JAK3 P52333 4/20 0.34
EGFR P00533 3/20 0.34
WEE1 P30291 1/20 0.33
NAMPT P43490 1/20 0.33
PDGFRB P09619 1/20 0.33
SLC2A1 P11166 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
SCHEMBL15034798 0.94 TNK2 (0.36) CAMK2DTNK2SRCINSRAXL
SCHEMBL15034839 0.90 CAMK2D (0.38) CAMK2DTNK2SRCAXLFGFR1
SCHEMBL15041243 0.90 CAMK2D (0.39) CAMK2DTNK2SRCINSRAXL
SCHEMBL15041202 0.90 CAMK2D (0.38) CAMK2DTNK2SRCFGFR1CDK4
SCHEMBL15034981 0.84 CAMK2D (0.37) CAMK2DTNK2SRCINSRAXL
SCHEMBL15242120 0.83 TNK2 (0.38) CAMK2DTNK2SRCINSRAXL
SCHEMBL15035056 0.83 CAMK2D (0.37) CAMK2DTNK2SRCINSRAXL
SCHEMBL15041189 0.83 CAMK2D (0.39) CAMK2DTNK2SRCFGFR1CDK4
SCHEMBL15237025 0.83 TNK2 (0.40) CAMK2DTNK2SRCJAK3EGFR
SCHEMBL15041608 0.81 CAMK2D (0.40) CAMK2DTNK2SRCFGFR1JAK3

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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 CAMK2D 125/4885TNK2 10/4885SRC 325/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CAMK2D 469/4885TNK2 7/4885SRC 26/4885

“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.