SCHEMBL4019286

SCHEMBL4019286

C[Si](C)(C)CCOCn1nc(I)c2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 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
SCHEMBL14440999 0.87 NPC1 (0.30) NPC1MAPT
SCHEMBL24122074 0.81 DGAT1 (0.32) DGAT1NPC1MAPT
SCHEMBL4014856 0.79 DGAT1 (0.31) DGAT1
SCHEMBL4760384 0.77 DGAT1 (0.30) DGAT1
SCHEMBL16370085 0.73 DGAT1 (0.33) DGAT1NPC1MAPT
SCHEMBL25344551 0.72 NPC1 (0.33) DGAT1NPC1MAPT
SCHEMBL1593371 0.71 DGAT1 (0.38) DGAT1NPC1
SCHEMBL19250755 0.71 NPC1 (0.32) DGAT1NPC1MAPT
SCHEMBL29900915 0.71 DGAT1 (0.38) DGAT1NPC1
SCHEMBL27215111 0.71 DGAT1 (0.38) DGAT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US 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
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 DGAT1 1745/4885L3MBTL1 727/4885NPC1 1509/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 DGAT1 4226/4885L3MBTL1 1743/4885NPC1 778/4885

“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.