SCHEMBL4530789

SCHEMBL4530789

CNc1nc(N)nc2cc(-c3ccccc3NS(C)(=O)=O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.50
ALOX5AP P20292 3/20 0.49
FEN1 P39748 3/20 0.49
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
MCL1 Q07820 1/20 0.46
DHFR P00374 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
METAP2 P50579 2/20 0.45
KDM1A O60341 1/20 0.44
TRPV1 Q8NER1 4/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL5509418 0.88 PTPN1 (0.43) LIMK1ALOX5APFEN1CDK1CDK2
SCHEMBL4528706 0.86 ALOX5AP (0.47) LIMK1ALOX5APFEN1CDK1CDK2
SCHEMBL4520711 0.85 PTPN1 (0.50) ALOX5APFEN1DHFRCYP1A2CYP3A4
SCHEMBL4511690 0.83 DHFR (0.47) ALOX5APFEN1DHFRTRPV1PTPN1
SCHEMBL4521967 0.83 DHFR (0.44) DHFRMETAP2TRPV1PTPN1
SCHEMBL4529883 0.81 ALOX5AP (0.52) ALOX5APFEN1DHFRPTPN1
SCHEMBL4352691 0.81 ALOX5AP (0.49) LIMK1ALOX5APFEN1CDK1CDK2
SCHEMBL4519688 0.81 DHFR (0.52) DHFRCYP1A2CYP3A4CLK4PTPN1
SCHEMBL4523528 0.81 ALOX5AP (0.47) ALOX5APFEN1DHFRPTPN1
SCHEMBL4515183 0.80 PTPN1 (0.59) DHFRCYP1A2CYP3A4CLK4PTPN1

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 LIMK1 1734/4885ALOX5AP 3709/4885FEN1 3010/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 LIMK1 1734/4885ALOX5AP 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.