SCHEMBL4509986

SCHEMBL4509986

Nc1nc(N)c2ccc(-c3ccccc3Oc3ccccc3)cc2n1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 12/20 0.72
MAP4K4 O95819 1/20 0.49
DCPS Q96C86 1/20 0.47
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
IKBKB O14920 1/20 0.45
BRAF P15056 1/20 0.45
SCN9A Q15858 1/20 0.43
FYN P06241 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL4521785 0.84 DHFR (0.55) DHFRNCOA1NCOA3IKBKBBRAF
SCHEMBL4533694 0.84 DHFR (0.55) DHFRNCOA1NCOA3IKBKBBRAF
SCHEMBL8509933 0.84 DHFR (1.00) DHFRMAP4K4DCPS
SCHEMBL4514778 0.80 DHFR (0.47) DHFRNCOA1NCOA3SCN9AFFAR4
SCHEMBL8512311 0.79 DHFR (1.00) DHFRMAP4K4DCPS
SCHEMBL9605513 0.77 DHFR (1.00) DHFRMAP4K4DCPS
SCHEMBL4516307 0.76 DHFR (0.73) DHFRMAP4K4DCPS
SCHEMBL12907191 0.75 JAK2 (0.60) NCOA1NCOA3SCN9AFYN
SCHEMBL13888558 0.74 DHFR (0.93) DHFRMAP4K4DCPS
SCHEMBL4532433 0.73 DHFR (0.68) DHFRMAP4K4DCPSSCN9A

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 4 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-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 DHFR 2071/4885MAP4K4 639/4885DCPS 2920/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885MAP4K4 639/4885DCPS 2920/4885

“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.