SCHEMBL4525835

SCHEMBL4525835

COc1ccc(C(C)C)cc1-c1ccc2c(c1)N(OC(=O)C(F)(F)F)C(N)N(C)C2N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
CETP P11597 6/20 0.34
CASR P41180 2/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 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
SCHEMBL4524038 0.68 CTSA (0.36) CTSACASR
SCHEMBL9258765 0.64 ERN1 (0.53) CTSACASR
SCHEMBL16712954 0.61 ERN1 (0.51) CTSACASR
SCHEMBL16710321 0.61 CTSA (0.49) CTSAAKR1C3AKR1C2
SCHEMBL16710320 0.61 CTSA (0.47) CTSACETPCASR
SCHEMBL23362411 0.61 CTSA (0.42) CTSAAKR1C3AKR1C2CETP
SCHEMBL28828446 0.61 OTUD7B (0.43) CTSAAKR1C3AKR1C2CETP
SCHEMBL16712948 0.61 BACE1 (0.56) CTSACETP
SCHEMBL16710317 0.60 CTSA (0.49) CTSAAKR1C3AKR1C2
SCHEMBL8940819 0.60 HDAC4 (0.50) CETPCASR

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 CTSA 1908/4885AKR1C3 3296/4885AKR1C2 2578/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 CTSA 1908/4885AKR1C3 3296/4885AKR1C2 2578/4885

“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.