SCHEMBL4523613

SCHEMBL4523613

CNc1nc(N)nc2cc(-c3c(F)cccc3OCC(O)CO)ccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
PTPN1 P18031 3/20 0.39
CYP1A2 P05177 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 2/20 0.37
DHFR P00374 2/20 0.37
PIK3CG P48736 1/20 0.36
AGTR1 P30556 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5AP P20292 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CYP2D6 P10635 1/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL4520756 0.88 PTPN1 (0.47) KCNH2PTPN1CYP1A2KDM4EMEN1
SCHEMBL4526578 0.88 KCNH2 (0.41) KCNH2PTPN1SCN9ADHFRALOX5AP
SCHEMBL4527908 0.82 PTPN1 (0.50) PTPN1CYP1A2KDM4ECYP2C19DHFR
SCHEMBL4517519 0.81 PTPN1 (0.51) KCNH2PTPN1DHFRALOX5APNLRP3
SCHEMBL4523462 0.76 PTPN1 (0.51) KCNH2PTPN1DHFR
SCHEMBL4511557 0.75 MAPK14 (0.38) PTPN1SCN9ADHFRNLRP3
Hydrochloric Acid SCHEMBL4519998 0.74 MAPK14 (0.37) PTPN1SCN9ADHFRNLRP3
SCHEMBL4533676 0.74 DHFR (0.53) PTPN1CYP1A2KDM4ECYP2C19DHFR
SCHEMBL4523940 0.74 PTPN1 (0.64) PTPN1CYP1A2CYP2C19SCN9ANLRP3
SCHEMBL4524961 0.73 PTPN1 (0.52) PTPN1DHFRNLRP3

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 3854/4885PTPN1 2/4885CYP1A2 671/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KCNH2 3854/4885PTPN1 2/4885CYP1A2 671/4885

“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.