SCHEMBL4524062

SCHEMBL4524062

CNc1nc(N)nc2cc(-c3ccccc3C(=O)c3ccccc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.55
DHFR P00374 6/20 0.45
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
HSD17B10 Q99714 3/20 0.41
USP2 O75604 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
CYP2C9 P11712 2/20 0.41
TP53 P04637 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4513782 0.91 PTPN1 (0.66) PTPN1DHFRCYP1A2CYP3A4HSD17B10
SCHEMBL4529385 0.88 PTPN1 (0.54) PTPN1DHFR
SCHEMBL4517419 0.88 PTPN1 (0.54) PTPN1DHFR
SCHEMBL4523710 0.87 PTPN1 (0.43) PTPN1DHFRCYP3A4CYP2C9CYP2D6
SCHEMBL4525906 0.86 SLC6A3 (0.53) PTPN1DHFR
Trifluoroacetic Acid SCHEMBL4517302 0.85 PTPN1 (0.59) PTPN1DHFRCYP1A2CYP2D6CYP2C19
SCHEMBL4519688 0.83 DHFR (0.52) PTPN1DHFRCYP1A2CYP3A4HSD17B10
SCHEMBL4526254 0.82 PTPN1 (0.49) PTPN1DHFR
SCHEMBL13888564 0.82 PTPN1 (0.47) PTPN1DHFR
Trifluoroacetic Acid SCHEMBL4526540 0.81 PTPN1 (0.48) PTPN1DHFRCYP1A2CYP3A4HSD17B10

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 10 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
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN 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
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP 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 2/4885DHFR 2071/4885CYP1A2 671/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885DHFR 2071/4885CYP1A2 671/4885

“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.