SCHEMBL3864307

SCHEMBL3864307

C[Si](C)(C)CCOCn1ncc2c(Br)cc(Oc3ccc(F)cc3F)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.42
▸ HIF1A Q16665 1/20 0.33
▸ TRPA1 O75762 7/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ PKLR P30613 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ SCN4A P35499 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ HSPB1 P04792 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
SCHEMBL4793059 0.84 JAK2 (0.35) DGAT1MAPK14
SCHEMBL30855733 0.81 DGAT1 (0.39) DGAT1
SCHEMBL31411454 0.78 DGAT1 (0.38) DGAT1
SCHEMBL3863406 0.78 MAPK14 (0.37) DGAT1MAPK14
SCHEMBL13646292 0.78 MAPK14 (0.37) DGAT1MAPK14
SCHEMBL25366051 0.76 DGAT1 (0.45) DGAT1
SCHEMBL29493833 0.76 DGAT1 (0.45) DGAT1
SCHEMBL4014501 0.75 BRD4 (0.38) DGAT1MAPK14NPBWR1MCHR1
SCHEMBL4013172 0.74 MAPK14 (0.46) MAPK14
SCHEMBL31460489 0.74 DGAT1 (0.34) DGAT1

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-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 — — US disclosed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 — — US disclosed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 — — US disclosed
EP-1919913-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 — — EP disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 — — US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 — — US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 — — US disclosed
WO-2007023110-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — WO disclosed
WO-2007023110-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — 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 (1 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-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K7 DGAT1 3454/4885HIF1A 2359/4885TRPA1 4678/4885

“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.

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