SCHEMBL2569082

SCHEMBL2569082

Oc1cc(O)nc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.34
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
GAA P10253 2/20 0.34
NR2F2 P24468 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8446958 0.87 HSP90AA1 (0.41) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL19023824 0.82 GABRA1 (0.34) KMT2AMEN1
SCHEMBL24233010 0.79 CES2 (0.41) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL29112171 0.77 HSP90AA1 (0.44) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL30329080 0.77 ADORA2A (0.38) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL1258669 0.76 HSP90AA1 (0.38) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL601042 0.74 HSP90AA1 (0.36) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL29955062 0.74 MGLL (0.38) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL603692 0.73 HSP90AA1 (0.44) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL31347570 0.73 NT5E (0.37) HSP90AA1HSP90AB1LMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372836-B2 Spray dried formulation BEND RESEARCH, INC. (US) 2013-02-12 US disclosed
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 EP disclosed
EP-2101741-B1 SOLID DISPERSION COMPRISING A POORLY WATER SOLUBLE DRUG BEND RES INC (US) 2010-08-11 EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 US disclosed
US-20100029667-A1 Spray dried formulation BEND RESEARCH INC. 2010-02-04 US disclosed
EP-2101741-A2 SOLID DISPERSION COMPRISING A POORLY WATER SOLUBLE DRUG BEND RESEARCH, INC. (US) 2009-09-23 EP disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 EP disclosed
WO-2008047201-A2 SOLID DISPERSION COMPRISING A POORLY WATER SOLUBLE DRUG PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 US 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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 HSP90AA1 1297/4885HSP90AB1 868/4885LMNA 4120/4885
US-20100029667-A1 Spray dried formulation PRKG1, PDE7A, PDE10A HSP90AA1 2556/4885HSP90AB1 3269/4885LMNA 3929/4885

“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.