SCHEMBL15034814

SCHEMBL15034814

CCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(Cc2ccnn2-c2ccncc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.46
PKN1 Q16512 1/20 0.46
MAP4K1 Q92918 9/20 0.45
JAK3 P52333 2/20 0.43
JAK2 O60674 2/20 0.42
BRD4 O60885 2/20 0.42
MAP4K3 Q8IVH8 1/20 0.42
CSF1R P07333 2/20 0.41
WEE1 P30291 2/20 0.41
TNK2 Q07912 1/20 0.41
FGFR1 P11362 1/20 0.40
CDK4 P11802 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
CCND1 P24385 1/20 0.40

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
SCHEMBL15035842 0.82 PAK4 (0.44) PAK4PKN1MAP4K1JAK3JAK2
SCHEMBL15035071 0.81 JAK2 (0.41) PAK4PKN1MAP4K1JAK3JAK2
SCHEMBL15034978 0.81 PAK4 (0.47) PAK4PKN1MAP4K1JAK3BRD4
SCHEMBL15035807 0.80 PAK4 (0.42) PAK4PKN1MAP4K1JAK3JAK2
SCHEMBL15034921 0.80 PAK4 (0.47) PAK4PKN1MAP4K1JAK3JAK2
SCHEMBL15034868 0.79 PAK4 (0.43) PAK4PKN1MAP4K1JAK3MAP4K3
SCHEMBL15034805 0.78 CDK4 (0.38) PAK4PKN1MAP4K1JAK3WEE1
SCHEMBL15035756 0.77 MAP4K1 (0.45) PAK4PKN1MAP4K1JAK3JAK2
SCHEMBL15035761 0.77 JAK2 (0.40) PAK4PKN1MAP4K1JAK3JAK2
SCHEMBL15035934 0.76 JAK3 (0.42) PAK4PKN1MAP4K1JAK3JAK2

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 604/4885MAP4K1 27/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK4 5/4885PKN1 326/4885MAP4K1 84/4885

“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.