SCHEMBL4526002

SCHEMBL4526002

Cc1cccc(C)c1-c1ccc2c(NCCO)nc(N)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
SRC P12931 1/20 0.48
APP P05067 4/20 0.47
NLRP3 Q96P20 2/20 0.46
KCNH2 Q12809 3/20 0.43
SLC2A1 P11166 1/20 0.43
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PGK1 P00558 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
SCHEMBL4528798 0.89 RAD52 (0.45) HRH4APPNLRP3SLC2A1KMT2A
SCHEMBL4511464 0.89 APP (0.61) HRH4SRCAPPNLRP3KCNH2
SCHEMBL4525583 0.88 APP (0.48) APPNLRP3KCNH2SLC2A1KMT2A
SCHEMBL4524773 0.87 NLRP3 (0.46) APPNLRP3KCNH2MAPK1TAAR1
SCHEMBL4535277 0.87 CYP3A4 (0.40) HRH4SRCAPPNLRP3KCNH2
SCHEMBL4534892 0.86 APP (0.43) HRH4APPNLRP3KCNH2MAPK1
SCHEMBL4511363 0.86 NLRP3 (0.61) HRH4SRCAPPNLRP3
SCHEMBL5504782 0.83 NLRP3 (0.41) APPNLRP3KCNH2SLC2A1KMT2A
SCHEMBL13888562 0.83 HRH4 (0.47) HRH4SRCAPPNLRP3KCNH2
SCHEMBL4533460 0.82 HRH4 (0.55) HRH4SRCAPPNLRP3PTPN1

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 HRH4 3834/4885SRC 108/4885APP 3531/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885SRC 108/4885APP 3531/4885

“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.