SCHEMBL15041730

SCHEMBL15041730

CCc1ncncc1Cn1c(=O)c(C#Cc2ncsc2C)cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 2/20 0.40
PTK2 Q05397 1/20 0.40
PAK4 O96013 1/20 0.40
JAK3 P52333 2/20 0.39
MAP4K1 Q92918 9/20 0.36
CSF1R P07333 3/20 0.36
PAK3 O75914 2/20 0.36
PAK1 Q13153 2/20 0.36
PAK2 Q13177 2/20 0.36
FGFR1 P11362 2/20 0.36
CDK4 P11802 2/20 0.36
CCNA2 P20248 2/20 0.36
CCND1 P24385 2/20 0.36
CDK2 P24941 2/20 0.36
PIK3CD O00329 1/20 0.36
PRKAB2 O43741 1/20 0.36
NUAK1 O60285 1/20 0.36
CCNT1 O60563 1/20 0.36
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL15036384 0.87 PAK4 (0.39) PKN1PTK2PAK4JAK3MAP4K1
SCHEMBL15259464 0.87 TLR7 (0.36)
SCHEMBL15258233 0.82 PTK2 (0.45) PKN1PTK2PAK4JAK3CSF1R
SCHEMBL15041735 0.80 CDK4 (0.39) PKN1PTK2PAK4JAK3CSF1R
SCHEMBL15617448 0.80 PKN1 (0.39) PKN1PTK2PAK4JAK3MAP4K1
SCHEMBL15259470 0.79 FGFR1 (0.37) PKN1PAK4JAK3MAP4K1CSF1R
SCHEMBL15041895 0.77 FGFR1 (0.36) PKN1PTK2PAK4JAK3MAP4K1
SCHEMBL15618047 0.77 CCNE1 (0.36) PKN1PAK4JAK3CSF1RPAK3
SCHEMBL15041729 0.76 CDK4 (0.46) PKN1PAK4MAP4K1CSF1RFGFR1
SCHEMBL15617439 0.76 CDK4 (0.37) PKN1PTK2PAK4FGFR1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 US disclosed
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 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 (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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PTK2 12/4885PAK4 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.