SCHEMBL4559995

SCHEMBL4559995

CCCC[Sn](CCCC)(CCCC)c1ccc2c(NC)nc(N)nc2c1.CNc1nc(N)nc2cc(-c3ccccc3S(=O)(=O)N(C)C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.40
FEN1 P39748 10/20 0.40
DHFR P00374 5/20 0.36
PDPK1 O15530 1/20 0.36
ROCK2 O75116 1/20 0.36
FES P07332 1/20 0.36
FER P16591 1/20 0.36
MARK3 P27448 1/20 0.36
FLT3 P36888 1/20 0.36
MAP4K2 Q12851 1/20 0.36
PKN2 Q16513 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
SLK Q9H2G2 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
NLRP3 Q96P20 1/20 0.35
PTPN1 P18031 2/20 0.34
P2RX3 P56373 1/20 0.33

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
SCHEMBL4559729 0.87 ALOX5AP (0.50) ALOX5APFEN1DHFRPDPK1ROCK2
SCHEMBL4523710 0.80 PTPN1 (0.43) DHFRNLRP3PTPN1
SCHEMBL4526032 0.80 KCNH2 (0.44) NLRP3PTPN1
SCHEMBL4523528 0.79 ALOX5AP (0.47) ALOX5APFEN1DHFRNLRP3PTPN1
SCHEMBL4511690 0.77 DHFR (0.47) ALOX5APFEN1DHFRPTPN1
SCHEMBL4520711 0.76 PTPN1 (0.50) ALOX5APFEN1DHFRPTPN1
SCHEMBL13888566 0.76 ALOX5AP (0.53) ALOX5APFEN1DHFRNLRP3PTPN1
SCHEMBL4529883 0.75 ALOX5AP (0.52) ALOX5APFEN1DHFRPTPN1
SCHEMBL4511415 0.72 DHFR (0.51) ALOX5APFEN1DHFRNLRP3PTPN1
SCHEMBL4514410 0.72 KCNH2 (0.40) ALOX5APFEN1DHFRNLRP3

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885DHFR 2071/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885DHFR 2071/4885

“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.