SCHEMBL4528686

SCHEMBL4528686

CCNC(=O)c1cccc(C)c1-c1ccc2c(NC)nc(N)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.42
KDR P35968 1/20 0.41
ABL1 P00519 2/20 0.41
NLRP3 Q96P20 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
HSP90AB1 P08238 3/20 0.39
CYP2C9 P11712 1/20 0.39
DHFR P00374 1/20 0.39
SRC P12931 1/20 0.39
PTPN1 P18031 3/20 0.39
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4526220 0.89 ALOX5AP (0.44) ALOX5APNLRP3HRH4CYP2C9DHFR
SCHEMBL4525916 0.86 PTPN1 (0.49) ALOX5APNLRP3HRH4CYP2C9DHFR
SCHEMBL4529983 0.86 HRH4 (0.44) ALOX5APNLRP3HRH4CYP2C9DHFR
SCHEMBL4525920 0.85 HRH4 (0.40) ALOX5APNLRP3HRH4CYP2C9DHFR
SCHEMBL4516605 0.84 HRH4 (0.43) ALOX5APNLRP3HRH4DHFRSRC
SCHEMBL4527358 0.83 CYP1A2 (0.44) ALOX5APNLRP3HRH4CYP2C9DHFR
SCHEMBL4524754 0.82 CYP3A4 (0.41) ABL1NLRP3HRH4CYP2C9DHFR
SCHEMBL4533460 0.82 HRH4 (0.55) NLRP3HRH4DHFRSRCPTPN1
SCHEMBL4512865 0.79 HRH4 (0.45) HRH4PTPN1
SCHEMBL27679394 0.79 PTPN1 (0.47) NLRP3HRH4CYP2C9DHFRPTPN1

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 12 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
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN 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
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN 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 3709/4885KDR 2310/4885ABL1 42/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885KDR 2310/4885ABL1 42/4885

“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.