SCHEMBL190557

SCHEMBL190557

COc1ccc(CN2C(=O)C(C3CC3)Oc3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
MAPT P10636 6/20 0.44
APP P05067 2/20 0.44
SNCA P37840 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GSK3B P49841 1/20 0.43
ADK P55263 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL189949 0.83 MAPT (0.44) ACHEMAPTAPPSNCAALDH1A1
SCHEMBL190994 0.81 ACHE (0.42) ACHEMAPTAPPSNCAALDH1A1
SCHEMBL13007728 0.80 ACHE (0.41) ACHEMAPTAPPSNCAALDH1A1
SCHEMBL190671 0.79 ACHE (0.42) ACHEMAPTAPPSNCAALDH1A1
SCHEMBL13007729 0.78 ACHE (0.44) ACHEMAPTAPPSNCAALDH1A1
SCHEMBL28253259 0.74 KCNJ1 (0.45) ACHEMAPTMMP1MMP9KCNJ1
SCHEMBL2861194 0.73 ACHE (0.47) ACHEMAPTAPPSNCAMMP1
SCHEMBL2675190 0.71 MAPT (0.48) ACHEMAPTAPPSNCAL3MBTL1
SCHEMBL12635990 0.71 ACHE (0.67) ACHEALDH1A1
SCHEMBL2675704 0.71 ACHE (0.45) ACHEMAPTAPPSNCAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814878-B1 SPIRO-2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2012-01-04 EP disclosed
US-7851480-B2 Spiro 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-7557207-B2 Spiro 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-07-07 US disclosed
US-20090062270-A1 SPIRO 2,4 PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2009-03-05 US disclosed
EP-1814878-A1 SPIRO-2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060167254-A1 Spiro 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2006-07-27 US disclosed
WO-2006068770-A1 SPIRO-2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2006-06-29 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-20060167254-A1 Spiro 2,4-pyrimidinediamine compounds and their uses SSB, SPHK2, PKD2 ACHE 2884/4885MAPT 4264/4885APP 3360/4885
US-20090062270-A1 SPIRO 2,4 PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES SSB, SPHK2, PKD2 ACHE 2808/4885MAPT 4261/4885APP 3114/4885

“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.