SCHEMBL4533462

SCHEMBL4533462

Cc1cccc(C)c1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.38
HRH4 Q9H3N8 1/20 0.36
GRIA1 P42261 3/20 0.34
CACNG8 Q8WXS5 3/20 0.34
DRD2 P14416 1/20 0.34
BRD4 O60885 1/20 0.32
HTR7 P34969 2/20 0.31
YES1 P07947 1/20 0.31
ABL1 P00519 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL4518695 0.94 GRIA1 (0.40) SRCHRH4GRIA1CACNG8DRD2
SCHEMBL4526176 0.89 SRC (0.33) SRCGRIA1CACNG8CTSD
SCHEMBL4515188 0.88 BACE1 (0.41) DRD2HTR7CTSD
SCHEMBL4528811 0.84 CTSD (0.44) HRH4CTSD
SCHEMBL4533682 0.84 BACE1 (0.41) GRIA1CACNG8HTR7CTSD
SCHEMBL4529247 0.84 HTR2A (0.30)
SCHEMBL4532717 0.83 CTSD (0.43) HRH4CTSD
SCHEMBL4511471 0.83 SRC (0.35) SRCHRH4GRIA1CACNG8DRD2
SCHEMBL4511369 0.82 SRC (0.36) SRCHRH4GRIA1CACNG8DRD2
SCHEMBL4524788 0.82 BACE1 (0.37) CTSD

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 8 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
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 SRC 108/4885HRH4 3834/4885GRIA1 1562/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 SRC 108/4885HRH4 3834/4885GRIA1 1562/4885

“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.