SCHEMBL4017735

SCHEMBL4017735

CC(O)CNc1nc(Oc2ccc(F)cc2F)nc2c1cnn2COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.36
MET P08581 2/20 0.35
AXL P30530 2/20 0.35
TYRO3 Q06418 2/20 0.35
MERTK Q12866 2/20 0.35
MAPK11 Q15759 1/20 0.34
DGAT1 O75907 1/20 0.34
BCDIN3D Q7Z5W3 2/20 0.33
PLK4 O00444 1/20 0.33
PAK4 O96013 1/20 0.33
MAPK8 P45983 1/20 0.33
CREBBP Q92793 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 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
SCHEMBL4017734 1.00 MAPK14 (0.36) MAPK14METAXLTYRO3MERTK
SCHEMBL14441281 0.90 MAPK14 (0.38) MAPK14MAPK11BCDIN3DPLK4PAK4
SCHEMBL13764864 0.88 MAPK14 (0.35) MAPK14METAXLTYRO3MERTK
SCHEMBL13672572 0.80 DGAT1 (0.34) MAPK14METAXLTYRO3MERTK
SCHEMBL4012038 0.77 ABL1 (0.44) ABL1SRC
SCHEMBL4012047 0.77 ABL1 (0.44) ABL1SRC
SCHEMBL4015556 0.76 ABL1 (0.44) BCDIN3DABL1SRC
SCHEMBL4015551 0.76 ABL1 (0.44) BCDIN3DABL1SRC
SCHEMBL13764870 0.74 MAPK14 (0.54) MAPK14MAPK11PLK4PAK4
SCHEMBL4019742 0.74 MAPK14 (0.54) MAPK14MAPK11PLK4PAK4

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 6 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-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US 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 MAPK14 70/4885MET 3825/4885AXL 493/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK14 33/4885MET 1428/4885AXL 3403/4885

“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.