SCHEMBL4524489

SCHEMBL4524489

COCCOc1cccc(C(F)(F)F)c1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 1/20 0.33
SCN9A Q15858 6/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
S1PR1 P21453 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
DRD2 P14416 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4524964 0.89 CTSS (0.35) HTR2AHTR2CHTR2BSCN9ACTSS
SCHEMBL4527945 0.85 SCN9A (0.36) HTR2AHTR2CHTR2BSCN9A
SCHEMBL4533466 0.83 AR (0.42) ARSCN9AKDM4EGAA
SCHEMBL4381198 0.83 PTPN1 (0.38) ARHTR2AHTR2CHTR2BKDM4E
SCHEMBL4519080 0.82 PTPN11 (0.33)
SCHEMBL4528354 0.82 ALOX5AP (0.39) ARHTR2AHTR2CSCN9AKDM4E
SCHEMBL4523947 0.81 TRPA1 (0.42) HTR2AHTR2CHTR2BSCN9A
SCHEMBL4528757 0.79 ALOX15 (0.32)
SCHEMBL4526581 0.79 SCN9A (0.40) HTR2CHTR2BSCN9AKCNH2
SCHEMBL4535079 0.78 PTPN1 (0.37) HTR2AHTR2CHTR2BSCN9A

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 AR 3942/4885HTR2A 1274/4885HTR2C 764/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 AR 3942/4885HTR2A 1274/4885HTR2C 764/4885

“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.