SCHEMBL4520541

SCHEMBL4520541

CNc1nc(N)nc2cc(-c3ccc(F)cc3OCCO)ccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.47
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
DHFR P00374 5/20 0.45
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
NLRP3 Q96P20 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
ADORA1 P30542 1/20 0.37
PTPN1 P18031 1/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL4511516 0.87 ALOX5AP (0.45) KCNH2ALOX5APFEN1DHFR
SCHEMBL4526578 0.82 KCNH2 (0.41) KCNH2ALOX5APFEN1DHFRNLRP3
SCHEMBL27679380 0.82 KCNH2 (0.46) KCNH2DHFRNLRP3PTPN1
SCHEMBL4527423 0.80 KCNH2 (0.43) KCNH2DHFRNLRP3PTPN1
SCHEMBL4533461 0.79 DHFR (0.57) ALOX5APFEN1DHFRCYP2D6PTPN1
SCHEMBL4511500 0.78 PTPN1 (0.44) DHFRNLRP3PTPN1
SCHEMBL4528351 0.78 ALOX5AP (0.41) ALOX5APFEN1DHFRCYP11B1CYP11B2
SCHEMBL4523462 0.78 PTPN1 (0.51) KCNH2DHFRPTPN1
SCHEMBL4514410 0.78 KCNH2 (0.40) KCNH2ALOX5APFEN1DHFRNLRP3
SCHEMBL13895183 0.77 DHFR (0.53) KCNH2DHFRNLRP3

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 10 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 claimed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
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 KCNH2 3854/4885ALOX5AP 3709/4885FEN1 3010/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KCNH2 3854/4885ALOX5AP 3709/4885FEN1 3010/4885

“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.