SCHEMBL15035451

SCHEMBL15035451

C=C1C=Cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2N1C1Cc2ccccc2CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
AXL P30530 4/20 0.33
PRKCZ Q05513 2/20 0.33
CHEK1 O14757 1/20 0.32
PTK2 Q05397 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
IGF1R P08069 1/20 0.31
KCNH2 Q12809 1/20 0.31
EGFR P00533 2/20 0.31
PDGFRB P09619 2/20 0.31
FGFR1 P11362 2/20 0.31
PDGFRA P16234 2/20 0.31
FGFR2 P21802 2/20 0.31
FGFR4 P22455 2/20 0.31
FGFR3 P22607 2/20 0.31
KDR P35968 2/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL15035550 0.87 CACNA2D1 (0.36) CACNA2D1AXLPTK2
SCHEMBL15035342 0.82 AXL (0.33) CACNA2D1CHRNB2CHRNA4AXLPRKCZ
SCHEMBL15041816 0.79 CDK4 (0.47) FGFR1FGFR2FGFR4FGFR3
SCHEMBL15035588 0.69 PTK2 (0.38) PTK2
SCHEMBL15035288 0.69 NUAK1 (0.37) AXLPTK2FGFR1FGFR2FGFR4
SCHEMBL15035322 0.67 CDK4 (0.41) AXLPDGFRBFGFR1PDGFRAFGFR2
SCHEMBL15041328 0.67 CDK4 (0.44) FGFR1FGFR2FGFR4FGFR3
SCHEMBL15035506 0.66 TYRO3 (0.36) AXLCHEK1PTK2
SCHEMBL15035487 0.65 MARK3 (0.38) PTK2
SCHEMBL15041570 0.64 CDK4 (0.48) FGFR1FGFR2FGFR4FGFR3

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-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 CACNA2D1 4677/4885CHRNB2 4797/4885CHRNA4 4876/4885

“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.