SCHEMBL4530856

SCHEMBL4530856

Nc1nc(N)c2ccc(-c3c(Cl)cccc3Cl)cc2n1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.68
DHFR P00374 10/20 0.62
HRH4 Q9H3N8 1/20 0.49
DCPS Q96C86 1/20 0.47
SRC P12931 2/20 0.46

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
SCHEMBL4510941 0.86 DHFR (0.64) MAP4K4DHFRHRH4DCPSSRC
SCHEMBL4526172 0.81 PTPN1 (0.59) MAP4K4DHFRHRH4SRC
SCHEMBL15587285 0.81 MAP4K4 (1.00) MAP4K4DHFR
SCHEMBL4532538 0.81 DHFR (0.62) MAP4K4DHFRHRH4DCPSSRC
SCHEMBL4532365 0.78 DHFR (0.73) MAP4K4DHFRHRH4DCPS
SCHEMBL13888558 0.78 DHFR (0.93) MAP4K4DHFRHRH4DCPS
SCHEMBL9605513 0.77 DHFR (1.00) MAP4K4DHFRHRH4DCPS
SCHEMBL4528798 0.76 RAD52 (0.45) MAP4K4HRH4
SCHEMBL14008915 0.76 SRC (0.74) MAP4K4SRC
SCHEMBL4518692 0.76 PTPN1 (0.55) MAP4K4DHFRHRH4SRC

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 MAP4K4 639/4885DHFR 2071/4885HRH4 3834/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 MAP4K4 639/4885DHFR 2071/4885HRH4 3834/4885

“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.