SCHEMBL15034868

SCHEMBL15034868

CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2ncoc2-c2ccncc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.43
PKN1 Q16512 1/20 0.43
JAK3 P52333 2/20 0.41
MAP4K1 Q92918 8/20 0.40
MAP4K3 Q8IVH8 1/20 0.38
TNK2 Q07912 1/20 0.38
FGFR1 P11362 1/20 0.37
CDK4 P11802 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
CCND1 P24385 1/20 0.37
CSF1R P07333 2/20 0.37
WEE1 P30291 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL15035071 0.82 JAK2 (0.41) PAK4PKN1JAK3MAP4K1TNK2
SCHEMBL15034989 0.81 JAK3 (0.43) PAK4PKN1JAK3MAP4K1MAP4K3
SCHEMBL15035842 0.80 PAK4 (0.44) PAK4PKN1JAK3MAP4K1MAP4K3
SCHEMBL15035761 0.80 JAK2 (0.40) PAK4PKN1JAK3MAP4K1TNK2
SCHEMBL15034814 0.79 PAK4 (0.46) PAK4PKN1JAK3MAP4K1MAP4K3
SCHEMBL15034978 0.79 PAK4 (0.47) PAK4PKN1JAK3MAP4K1MAP4K3
SCHEMBL15034945 0.78 TNK2 (0.39) PAK4PKN1JAK3MAP4K1TNK2
SCHEMBL15035934 0.77 JAK3 (0.42) PAK4PKN1JAK3MAP4K1TNK2
SCHEMBL15035807 0.75 PAK4 (0.42) PAK4PKN1JAK3MAP4K1TNK2
SCHEMBL15035756 0.75 MAP4K1 (0.45) PAK4PKN1JAK3MAP4K1MAP4K3

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 PAK4 5/4885PKN1 604/4885JAK3 473/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK4 5/4885PKN1 326/4885JAK3 1901/4885

“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.