SCHEMBL4535355

SCHEMBL4535355

CCOc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)N(OC(=O)C(F)(F)F)C(N)N(C)C2N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARD Q03181 1/20 0.35
SSTR5 P35346 1/20 0.35
NLRP3 Q96P20 1/20 0.34
GAA P10253 3/20 0.34
CTSA P10619 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
LMNA P02545 2/20 0.33
ALOX5AP P20292 2/20 0.33

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
SCHEMBL4534722 0.83 KCNK3 (0.36) RXRARXRBRXRGGAAKDM4E
SCHEMBL4526547 0.79 SCN9A (0.33) PTGDR2AKR1C3AKR1C2
SCHEMBL4525626 0.78 HDAC1 (0.34)
SCHEMBL4527842 0.77 PTGDR2 (0.34) PTGDR2
SCHEMBL4528058 0.76 RXRA (0.30) RXRARXRB
SCHEMBL4521120 0.75 ABL1 (0.31)
SCHEMBL4524748 0.74 WDR5 (0.31)
SCHEMBL4522540 0.71 MAPT (0.33) GAAMEN1KMT2ALMNAFEN1
SCHEMBL4518229 0.71 ALOX5AP (0.39) RXRARXRBRXRGSSTR5NLRP3
SCHEMBL3734415 0.70 MC2R (0.35) GAAKDM4EMEN1ALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP 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 RXRA 4053/4885RXRB 3014/4885RXRG 3733/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 RXRA 4053/4885RXRB 3014/4885RXRG 3733/4885

“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.