SCHEMBL15034832

SCHEMBL15034832

CCC(CC)c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(Cc2cnoc2-c2ccncc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.44
PAK4 O96013 2/20 0.39
PKN1 Q16512 2/20 0.39
TNK2 Q07912 5/20 0.38
SRC P12931 1/20 0.38
AXL P30530 4/20 0.37
MAP4K1 Q92918 1/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCND2 P30279 2/20 0.36
CCND3 P30281 2/20 0.36
WEE1 P30291 2/20 0.36
AURKA O14965 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
PAK1 Q13153 1/20 0.35

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
SCHEMBL15035819 0.84 CAMK2D (0.42) CAMK2DPAK4PKN1TNK2SRC
SCHEMBL15035047 0.83 CAMK2D (0.45) CAMK2DPAK4PKN1TNK2SRC
SCHEMBL15034942 0.80 CAMK2D (0.46) CAMK2DPAK4PKN1TNK2SRC
SCHEMBL15035698 0.80 CAMK2D (0.45) CAMK2DTNK2SRCAXLFGFR1
SCHEMBL15035911 0.79 CAMK2D (0.45) CAMK2DPAK4PKN1TNK2SRC
SCHEMBL15036308 0.76 CHEK1 (0.39) TNK2SRCEGFRFGFR1CDK4
SCHEMBL15036327 0.73 CAMK2D (0.45) CAMK2DPAK4PKN1TNK2SRC
SCHEMBL15035359 0.72 CAMK2D (0.44) CAMK2DTNK2SRCAXLEGFR
SCHEMBL15258247 0.72 CAMK2D (0.40) CAMK2DPAK4PKN1TNK2SRC
SCHEMBL15034923 0.72 CDK4 (0.38) AXLEGFRFGFR1CDK4CCND1

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 4 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-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
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 125/4885PAK4 5/4885PKN1 604/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CAMK2D 469/4885PAK4 5/4885PKN1 326/4885

“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.