SCHEMBL4534826

SCHEMBL4534826

Cc1ccccc1-c1ccc2c(c1)N=C(N)N(CCN)C2N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.37
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HTR2C P28335 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ICMT O60725 2/20 0.32
TRPA1 O75762 1/20 0.32
DRD2 P14416 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM6B O15054 2/20 0.32
KDM4C Q9H3R0 2/20 0.32

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
SCHEMBL4531703 0.91 BACE1 (0.37) HTR7BACE1CTSDLCKKDR
SCHEMBL4531694 0.88 BACE1 (0.39) HTR7BACE1CTSDLCKKDR
SCHEMBL4515188 0.84 BACE1 (0.41) HTR7BACE1CTSDLCKKDR
SCHEMBL4511471 0.80 SRC (0.35) HTR7DRD2
SCHEMBL4511369 0.77 SRC (0.36) HTR7DRD2
SCHEMBL4519696 0.73 CTSD (0.36) BACE1CTSDKDRALDH1A1KMT2A
SCHEMBL4511419 0.71 ALOX5AP (0.40) ALOX5APFEN1TRPA1KDM6BKDM4C
SCHEMBL4529709 0.71 ALDH1A1 (0.33) CTSDHTR2CALDH1A1MAPK1
SCHEMBL3367319 0.71 ADORA1 (0.41) HTR7BACE1CTSDLCKKDR
SCHEMBL4521237 0.70 DHFR (0.43) HTR7BACE1CTSDALOX5APFEN1

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 HTR7 1851/4885BACE1 3629/4885CTSD 3781/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HTR7 1851/4885BACE1 3629/4885CTSD 3781/4885

“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.