SCHEMBL13553739

SCHEMBL13553739

C=C(C)C1CCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CCNCC6)cc5)nc4n(CC)c3=O)c(C)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 4/20 0.48
▸ PAK4 O96013 3/20 0.48
▸ PAK1 Q13153 4/20 0.44
▸ PAK3 O75914 2/20 0.44
▸ PAK2 Q13177 2/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ LIMK2 P53671 1/20 0.44
▸ FGFR1 P11362 5/20 0.42
▸ EGFR P00533 2/20 0.42
▸ WEE1 P30291 1/20 0.41
▸ JAK2 O60674 3/20 0.39
▸ BRD4 O60885 3/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ FGFR4 P22455 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ STK4 Q13043 1/20 0.39

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
SCHEMBL14693021 0.88 PKN1 (0.50) PKN1PAK4PAK1PAK3PAK2
SCHEMBL15041281 0.85 PKN1 (0.51) PKN1PAK4PAK1PAK3PAK2
SCHEMBL13553519 0.82 PKN1 (0.57) PKN1PAK4PAK1PAK3PAK2
SCHEMBL13553530 0.80 PKN1 (0.56) PKN1PAK4PAK1PAK3PAK2
SCHEMBL13553476 0.80 PKN1 (0.64) PKN1PAK4PAK1PAK3PAK2
SCHEMBL15035219 0.79 PKN1 (0.65) PKN1PAK4PAK1PAK3PAK2
SCHEMBL14684875 0.78 PAK4 (0.52) PKN1PAK4PAK1PAK3PAK2
SCHEMBL14681958 0.78 PAK4 (0.52) PKN1PAK4PAK1PAK3PAK2
SCHEMBL13553536 0.77 PAK4 (0.51) PKN1PAK4PAK1PAK3PAK2
SCHEMBL15030226 0.76 PKN1 (0.63) PKN1PAK4PAK1PAK3PAK2

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-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS INC. (US) 2012-10-25 — — 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-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 PKN1 528/4885PAK4 6/4885PAK1 5/4885

“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.

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