SCHEMBL4021391

SCHEMBL4021391

C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PKM P14618 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL30079470 0.90 SMN1; SMN2 (0.40) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL21296485 0.89 GAA (0.40) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL21296472 0.86 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2APKMLMNA
SCHEMBL11890433 0.82 ALDH1A1 (0.36) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL4013481 0.81 SMN1; SMN2 (0.33) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL942541 0.81 SMN1; SMN2 (0.32) SMN1; SMN2GAAALDH1A1
SCHEMBL941630 0.81 PKM (0.33) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL30824045 0.80 L3MBTL1 (0.33) SMN1; SMN2GAAPKMPOLBL3MBTL1
SCHEMBL4761780 0.80 SMN1; SMN2 (0.32) SMN1; SMN2GAAMEN1KMT2ALMNA
SCHEMBL30950092 0.80 F2RL1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3888/4885MEN1 3629/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 SMN1; SMN2 852/4885GAA 2670/4885MEN1 4341/4885

“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.