SCHEMBL190994

SCHEMBL190994

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
CYP19A1 P11511 2/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 2/20 0.40
SNCA P37840 2/20 0.40
THRB P10828 1/20 0.40
GSK3B P49841 1/20 0.40
ADK P55263 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
CMA1 P23946 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13007728 0.89 ACHE (0.41) ACHECYP19A1MAPTMAPK1MEN1
SCHEMBL189949 0.88 MAPT (0.44) ACHEMAPTMAPK1MEN1KMT2A
SCHEMBL190671 0.83 ACHE (0.42) ACHEMAPTMAPK1MEN1KMT2A
SCHEMBL190557 0.81 ACHE (0.48) ACHEMAPTAPPSNCAGSK3B
SCHEMBL7478182 0.73 ALDH1A1 (0.44) MAPTMAPK1APPSNCACMA1
SCHEMBL13007729 0.71 ACHE (0.44) ACHEMAPTMEN1KMT2AAPP
SCHEMBL20580496 0.70 THRB (0.45) ACHEMAPTMAPK1THRBGSK3B
SCHEMBL7468750 0.70 CASP3 (0.44) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL30806728 0.70 TSHR (0.51) ACHEMAPTMAPK1MEN1KMT2A
SCHEMBL7467559 0.70 TSHR (0.58) MAPK1THRBGSK3BADKCMA1

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 2884/4885CYP19A1 3609/4885MAPT 4264/4885
US-20090062270-A1 SPIRO 2,4 PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES SSB, SPHK2, PKD2 ACHE 2808/4885CYP19A1 3096/4885MAPT 4261/4885

“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.