SCHEMBL4523947

SCHEMBL4523947

CN1C(N)=Nc2cc(-c3c(F)cccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
SCN9A Q15858 4/20 0.40
PTPN1 P18031 1/20 0.34
HTR2C P28335 7/20 0.32
HTR2B P41595 7/20 0.32
HTR2A P28223 6/20 0.32
HSD11B1 P28845 1/20 0.32
MAPK14 Q16539 1/20 0.31
KIF11 P52732 1/20 0.30
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL4527945 0.93 SCN9A (0.36) TRPA1SCN9AHTR2CHTR2BHTR2A
SCHEMBL4517522 0.89 ALOX5AP (0.36) SCN9A
SCHEMBL4535079 0.86 PTPN1 (0.37) SCN9APTPN1HTR2CHTR2BHTR2A
SCHEMBL4514041 0.84 NR1H2 (0.38) SCN9AHTR2CHTR2BHTR2A
SCHEMBL4528908 0.84 TRPA1 (0.44) TRPA1SCN9AHSD11B1
SCHEMBL4533710 0.83 PTPN1 (0.41) SCN9APTPN1HTR2CHTR2BHTR2A
SCHEMBL4524964 0.83 CTSS (0.35) TRPA1SCN9AHTR2CHTR2BHTR2A
SCHEMBL4531452 0.83 HTR2A (0.31) HTR2CHTR2BHTR2A
SCHEMBL4524489 0.81 AR (0.40) SCN9AHTR2CHTR2BHTR2A
SCHEMBL3732360 0.80 PTPN1 (0.45) TRPA1SCN9APTPN1HTR2CHTR2B

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 8 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
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 TRPA1 2889/4885SCN9A 1783/4885PTPN1 2/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 TRPA1 2889/4885SCN9A 1783/4885PTPN1 2/4885

“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.