SCHEMBL4525906

SCHEMBL4525906

CNc1nc(N)nc2cc(-c3ccccc3C(=O)OC)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A2 P23975 1/20 0.53
PTPN1 P18031 8/20 0.52
DHFR P00374 3/20 0.48
ROCK2 O75116 1/20 0.46
CSF1R P07333 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
ROCK1 Q13464 1/20 0.46
SLK Q9H2G2 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
ALOX5AP P20292 1/20 0.46
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
BDKRB1 P46663 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL4517419 0.88 PTPN1 (0.54) PTPN1DHFRALOX5AP
SCHEMBL4513782 0.88 PTPN1 (0.66) PTPN1DHFRALOX5APTLR8TLR7
SCHEMBL4529385 0.88 PTPN1 (0.54) PTPN1DHFRALOX5AP
SCHEMBL4517308 0.87 PTPN1 (0.46) SLC6A3SLC6A4SLC6A2PTPN1DHFR
SCHEMBL4524062 0.86 PTPN1 (0.55) PTPN1DHFR
SCHEMBL4516605 0.84 HRH4 (0.43) PTPN1DHFRALOX5APTLR8TLR7
Trifluoroacetic Acid SCHEMBL4517302 0.83 PTPN1 (0.59) PTPN1DHFRALOX5APDHODH
SCHEMBL13888564 0.82 PTPN1 (0.47) PTPN1DHFR
SCHEMBL4526254 0.82 PTPN1 (0.49) PTPN1DHFR
SCHEMBL4521232 0.81 DHFR (0.73) PTPN1DHFR

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 SLC6A3 1809/4885SLC6A4 1830/4885SLC6A2 2533/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 SLC6A3 1809/4885SLC6A4 1830/4885SLC6A2 2533/4885

“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.