SCHEMBL4523940

SCHEMBL4523940

CNc1nc(N)nc2cc(-c3c(F)cccc3C(F)(F)F)ccc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.64
TRPA1 O75762 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
SCN9A Q15858 1/20 0.38
NLRP3 Q96P20 2/20 0.38
HRH4 Q9H3N8 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
SCHEMBL4527944 0.93 PTPN1 (0.57) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL4517519 0.89 PTPN1 (0.51) PTPN1NLRP3HRH4
Trifluoroacetic Acid SCHEMBL4524510 0.86 PTPN1 (0.50) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL4535077 0.86 PTPN1 (0.67) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL4514038 0.84 PTPN1 (0.54) PTPN1
SCHEMBL4524961 0.83 PTPN1 (0.52) PTPN1NLRP3
SCHEMBL4531449 0.83 PTPN1 (0.53) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL4528905 0.82 PTPN1 (0.62) PTPN1TRPA1CYP1A2CYP2D6CYP2C19
SCHEMBL4527626 0.82 PTPN1 (0.68) PTPN1CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL4527908 0.82 PTPN1 (0.50) PTPN1CYP1A2CYP2D6CYP2C19

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 11 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
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 PTPN1 2/4885TRPA1 2889/4885CYP1A2 671/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885TRPA1 2889/4885CYP1A2 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.