SCHEMBL14681978

SCHEMBL14681978

CC1CN(c2ccc(Nc3ncc4cc(C5=NC(C6=CCN=C6)=NC5C)c(=O)n(CC5CC5)c4n3)cc2F)CCN1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 1/20 0.45
PAK4 O96013 1/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
PAK1 Q13153 1/20 0.45
PAK2 Q13177 1/20 0.45
PKN1 Q16512 1/20 0.45
WEE1 P30291 1/20 0.42
TNK2 Q07912 14/20 0.40
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
JAK3 P52333 3/20 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
SCHEMBL13553633 0.85 PAK3 (0.45) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035975 0.76 TNK2 (0.45) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035090 0.76 PAK3 (0.45) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL14681940 0.71 TNK2 (0.41) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL13553488 0.70 PAK3 (0.50) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL13553868 0.70 PAK4 (0.57) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15785354 0.70 PAK4 (0.57) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041686 0.69 PAK4 (0.52) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL13553939 0.68 PAK1 (0.43) PAK4PAK1PKN1WEE1TNK2
SCHEMBL15036435 0.67 WEE1 (0.52) PAK3PAK4LIMK1LIMK2PAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 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 (1 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-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 PAK3 4/4885PAK4 6/4885LIMK1 499/4885

“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.