SCHEMBL190671

SCHEMBL190671

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
MAPT P10636 5/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 2/20 0.39
SNCA P37840 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GSK3B P49841 1/20 0.38
ADK P55263 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 0.86 MAPT (0.44) ACHEMAPTMAPK1MEN1KMT2A
SCHEMBL13007728 0.85 ACHE (0.41) ACHEMAPTMAPK1MEN1KMT2A
SCHEMBL190994 0.83 ACHE (0.42) ACHEMAPTMAPK1MEN1KMT2A
SCHEMBL190557 0.79 ACHE (0.48) ACHEMAPTAPPSNCASMN1; SMN2
SCHEMBL17434461 0.78 ALDH1A1 (0.38) ACHEMAPTMAPK1MEN1KMT2A
SCHEMBL7478182 0.71 ALDH1A1 (0.44) MAPTMAPK1APPSNCASMN1; SMN2
SCHEMBL190342 0.71 KMT2A (0.51) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL30806826 0.70 CASP1 (0.43) ACHEMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7471027 0.70 KMT2A (0.60) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL13007729 0.69 ACHE (0.44) ACHEMAPTMEN1KMT2AAPP

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 4264/4885MAPK1 3372/4885
US-20090062270-A1 SPIRO 2,4 PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES SSB, SPHK2, PKD2 ACHE 2808/4885MAPT 4261/4885MAPK1 2993/4885

“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.