SCHEMBL1845846

SCHEMBL1845846

COC(=O)Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.42
PPARD Q03181 2/20 0.41
RUVBL1 Q9Y265 1/20 0.41
TDO2 P48775 2/20 0.40
IDO1 P14902 1/20 0.40
CYP2D6 P10635 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL1847657 0.95 ADORA3 (0.50) ADORA3L3MBTL1SMN1; SMN2TP53LMNA
SCHEMBL1841633 0.90 L3MBTL1 (0.54) ADORA3L3MBTL1SMN1; SMN2TP53LMNA
SCHEMBL1843439 0.86 LMNA (0.47) ADORA3L3MBTL1SMN1; SMN2TP53LMNA
SCHEMBL2494117 0.81 HDAC1 (0.50) ADORA3LMNATDO2IDO1CYP2D6
SCHEMBL5444853 0.80 PPARD (0.54) RXRARXRBRXRGLMNAPPARD
SCHEMBL1296063 0.79 HSP90AB1 (0.56) RXRARXRBRXRGLMNAIDO1
SCHEMBL14477117 0.78 CYP4F2 (0.53) RXRARXRBRXRGSMN1; SMN2LMNA
SCHEMBL1844250 0.78 ADORA3 (0.38) ADORA3L3MBTL1SMN1; SMN2TP53LMNA
SCHEMBL478341 0.77 SYK (0.48) RXRARXRBRXRGL3MBTL1SMN1; SMN2
SCHEMBL1844696 0.77 PTGES (0.39) ADORA3L3MBTL1SMN1; SMN2TP53LMNA

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-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
EP-2321278-A2 PYRIDINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2011-05-18 EP disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 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-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE BACE1, PSEN1, BACE2 ADORA3 126/4885RXRA 278/4885RXRB 261/4885

“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.