SCHEMBL4511017

SCHEMBL4511017

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.47
PTPN1 P18031 9/20 0.43
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
NLRP3 Q96P20 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TRIM58 Q8NG06 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL4519688 0.83 DHFR (0.52) DHFRPTPN1NLRP3TRIM58CYP1A2
SCHEMBL4515183 0.82 PTPN1 (0.59) DHFRPTPN1NOS3NOS1NOS2
SCHEMBL4511415 0.81 DHFR (0.51) DHFRPTPN1NLRP3NOS3NOS1
SCHEMBL27698459 0.81 DHFR (0.43) DHFRPTPN1NLRP3CYP1A2CYP3A4
SCHEMBL4529705 0.81 PTPN1 (0.60) DHFRPTPN1NLRP3NOS3NOS1
SCHEMBL4526439 0.81 DHFR (0.50) DHFRPTPN1NLRP3
SCHEMBL4524950 0.81 PTPN1 (0.60) DHFRPTPN1CYP1A2CYP3A4CYP2D6
SCHEMBL4511690 0.81 DHFR (0.47) DHFRPTPN1
SCHEMBL4365953 0.80 DHFR (0.40) DHFRTRIM58CYP1A2CYP3A4CYP2D6
SCHEMBL4513782 0.80 PTPN1 (0.66) DHFRPTPN1CYP1A2CYP3A4CLK4

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 12 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
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
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 2071/4885PTPN1 2/4885CTNNB1 2620/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 DHFR 2071/4885PTPN1 2/4885CTNNB1 2620/4885

“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.