SCHEMBL15034938

SCHEMBL15034938

C=C(c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2nnn(C)c2C2CCOCC2)c1=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.36
AXL P30530 3/20 0.36
INSR P06213 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 7/20 0.35
TNK2 Q07912 2/20 0.35
SRC P12931 1/20 0.35
EGFR P00533 3/20 0.34
CDK4 P11802 4/20 0.34
CCND1 P24385 4/20 0.34
FGFR1 P11362 3/20 0.34
CCNA2 P20248 3/20 0.34
FGFR2 P21802 3/20 0.34
FGFR4 P22455 3/20 0.34
FGFR3 P22607 3/20 0.34
CDK2 P24941 3/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34

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
SCHEMBL15041760 0.93 CAMK2D (0.38) CAMK2DAXLINSRKDRJAK3
SCHEMBL15035000 0.82 CAMK2D (0.39) CAMK2DJAK3EGFRCDK4CCND1
SCHEMBL15034834 0.82 CDK4 (0.36) CAMK2DAXLINSRKDRJAK3
SCHEMBL15034770 0.81 CAMK2D (0.40) CAMK2DAXLJAK3TNK2SRC
SCHEMBL15035914 0.81 CAMK2D (0.38) CAMK2DAXLJAK3TNK2SRC
SCHEMBL15041426 0.79 CAMK2D (0.39) CAMK2DAXLJAK3TNK2SRC
SCHEMBL15035702 0.78 JAK3 (0.38) CAMK2DAXLINSRKDRJAK3
SCHEMBL15035816 0.77 CAMK2D (0.35) CAMK2DAXLINSRKDRJAK3
SCHEMBL15035044 0.77 CDK4 (0.38) CAMK2DAXLINSRKDRJAK3
SCHEMBL15041402 0.76 CDK4 (0.38) CAMK2DAXLINSRKDRJAK3

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 125/4885AXL 1140/4885INSR 4496/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CAMK2D 469/4885AXL 1075/4885INSR 3942/4885

“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.