SCHEMBL4529133

SCHEMBL4529133

CNc1nc(N)nc2cc(-c3ccc(C=O)c(N4CCCC4)c3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.43
HRH4 Q9H3N8 8/20 0.42
DHFR P00374 3/20 0.38
HRH1 P35367 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
NLRP3 Q96P20 2/20 0.36
NUDT1 P36639 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4526712 0.82 PTPN1 (0.45) PTPN1HRH4DHFRHRH1HRH3
SCHEMBL4511017 0.78 DHFR (0.47) PTPN1DHFRNLRP3
Trifluoroacetic Acid SCHEMBL4510973 0.77 PTPN1 (0.41) PTPN1HRH4DHFRHRH1HRH3
SCHEMBL4523209 0.77 PTPN1 (0.67) PTPN1HRH4HRH1HRH3NLRP3
SCHEMBL4510977 0.76 PTPN1 (0.40) PTPN1HRH4DHFRHRH1HRH3
SCHEMBL4528809 0.74 DHFR (0.65) PTPN1HRH4DHFRNLRP3
SCHEMBL4527626 0.74 PTPN1 (0.68) PTPN1HRH4NLRP3
SCHEMBL28768395 0.74 NLRP3 (0.36) HRH4DHFRHRH3NLRP3
SCHEMBL4516229 0.72 PTPN1 (0.44) PTPN1HRH4DHFRHRH1HRH3
SCHEMBL4532712 0.72 DHFR (0.61) PTPN1HRH4DHFRNLRP3ALDH1A1

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 5 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 disclosed
EP-1229937-B1 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QUADRA LOGIC TECH INC (CA) 2007-11-07 EP 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 PTPN1 2/4885HRH4 3834/4885DHFR 2071/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885HRH4 3834/4885DHFR 2071/4885

“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.