SCHEMBL4015729

SCHEMBL4015729

CC(C)(C)OC(=O)n1nc(I)c2cnc(Oc3ccc(F)cc3F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.38
MAPK14 Q16539 5/20 0.35
RXRB P28702 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL13769506 0.82 DGAT2 (0.41) MAPK14CHRM2CHRM4CHRM5CHRM1
SCHEMBL22801735 0.80 MAP2K4 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4017442 0.78 MAPK14 (0.44) MAPK14BRD4
SCHEMBL30526294 0.77 MAP2K4 (0.37) KDM4EGABRG2GABRB3GABRA5
SCHEMBL15169674 0.77 MAP2K4 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4065596 0.77 HIF1A (0.44)
SCHEMBL3820541 0.72 MAPK14 (0.44) MAPK14
SCHEMBL3819640 0.72 MAPK14 (0.42) MAPK14
SCHEMBL22345411 0.71 SCN9A (0.38) KDM4EGABRG2GABRB3GABRA5BRD4
SCHEMBL31134050 0.71 SCN9A (0.38) KDM4EGABRG2GABRB3GABRA5BRD4

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
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
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US disclosed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 HSPB1 289/4885MAPK14 33/4885RXRB 2572/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 HSPB1 2010/4885MAPK14 48/4885RXRB 972/4885

“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.