SCHEMBL4013481

SCHEMBL4013481

C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1CO

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F2RL1 P55085 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11890433 0.83 ALDH1A1 (0.36) SMN1; SMN2GAAALDH1A1F2RL1MEN1
SCHEMBL942541 0.82 SMN1; SMN2 (0.32) SMN1; SMN2GAAALDH1A1F2RL1
SCHEMBL941630 0.82 PKM (0.33) SMN1; SMN2GAAALDH1A1F2RL1MEN1
SCHEMBL4021391 0.81 SMN1; SMN2 (0.42) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL30079470 0.81 SMN1; SMN2 (0.40) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL4761780 0.81 SMN1; SMN2 (0.32) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL21296485 0.80 GAA (0.40) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL4015092 0.80 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL29089739 0.78 DGAT1 (0.33) F2RL1
SCHEMBL22288318 0.78 KLKB1 (0.31) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3737684-B1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2022-11-16 EP disclosed
CN-101242832-B Fused pyrazole as p38 MAP kinase inhibitors HOFFMANN LA ROCHE 2011-08-10 CN disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
CN-101242832-A Fused pyrazole as p38 MAP kinase inhibitors HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
CN-1926139-A Fused pyrazole derivatives HOFFMANN LA ROCHE (CH) 2007-03-07 CN disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
EP-1737865-A1 FUSED DERIVATIVES OF PYRAZOLE F.HOFFMANN-LA ROCHE AG (CH) 2007-01-03 EP disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 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 (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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 SMN1; SMN2 2168/4885GAA 3888/4885ALDH1A1 2715/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 SMN1; SMN2 852/4885GAA 2670/4885ALDH1A1 3313/4885

“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.