SCHEMBL2087964

SCHEMBL2087964

COc1ccc(CNc2cc(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.64
MAPT P10636 7/20 0.62
TP53 P04637 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.56
PTGS2 P35354 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PTGDR Q13258 1/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL2448005 0.83 MAPT (0.52) ACP1MAPTTP53SMN1; SMN2PTGS2
SCHEMBL28046979 0.83 PTGS2 (0.52) ACP1MAPTTP53SMN1; SMN2PTGS2
SCHEMBL2448924 0.82 USP1 (0.55) ACP1MAPTTP53SMN1; SMN2PTGS2
SCHEMBL28046990 0.80 PTGS2 (0.49) ACP1MAPTTP53SMN1; SMN2PTGS2
SCHEMBL29473431 0.79 KDM4E (0.60) ACP1MAPTTP53SMN1; SMN2NPC1
SCHEMBL1348798 0.77 ACP1 (0.56) ACP1MAPTTP53SMN1; SMN2NPC1
SCHEMBL4683098 0.77 ACP1 (0.56) ACP1MAPTTP53SMN1; SMN2
SCHEMBL23796424 0.76 ACP1 (0.52) ACP1MAPTTP53SMN1; SMN2PTGS2
SCHEMBL28548736 0.75 MAPT (0.64) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL31349645 0.75 MAPT (0.63) MAPTTP53SMN1; SMN2PTGS2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 US disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 US disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 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 (1 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 ACP1 1010/4885MAPT 2224/4885TP53 3615/4885

“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.